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4-[4-chloro-3-(trifluoromethyl)phenyl]piperidin-4-ol

4-[4-chloro-3-(trifluoromethyl)phenyl]piperidin-4-ol

CAS: 21928-50-7

Formula: C12H13ClF3NO

SMILES: OC1(CCNCC1)C1=CC=C(Cl)C(=C1)C(F)(F)F

IUPAC: 4-[4-chloro-3-(trifluoromethyl)phenyl]piperidin-4-ol

InChI: InChI=1S/C12H13ClF3NO/c13-10-2-1-8(7-9(10)12(14,15)16)11(18)3-5-17-6-4-11/h1-2,7,17-18H,3-6H2

Composition: C (51.53%), H (4.69%), Cl (12.67%), F (20.38%), N (5.01%), O (5.72%)

Molar Mass: 279.69

Atom Count: 31

Heavy Atom Count: 18

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 279.0637762
Formal Charge 0
FSP3 0.5
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 2
InChIKey RALRVIPTUXSBPO-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 63.7
Topological Polar Surface Area 32.26
Polarizability 24.01
Ring Count 2
Rotatable Bond Count 2

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