3-(azepan-1-yl)-1,1,1-trifluoropropan-2-ol

3-(azepan-1-yl)-1,1,1-trifluoropropan-2-ol

CAS: 672952-07-7

Formula: C9H16F3NO

SMILES: OC(CN1CCCCCC1)C(F)(F)F

IUPAC: 3-(azepan-1-yl)-1,1,1-trifluoropropan-2-ol

InChI: InChI=1/C9H16F3NO/c10-9(11,12)8(14)7-13-5-3-1-2-4-6-13/h8,14H,1-7H2

Composition: C (51.18%), H (7.64%), F (26.98%), N (6.63%), O (7.57%)

Molar Mass: 211.228

Atom Count: 30

Heavy Atom Count: 14

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	1
Exact Mass	211.118398628
Formal Charge	0
FSP3	1
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	KBCJDNINKHXTSD-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	48.14
Topological Polar Surface Area	23.47
Polarizability	18.09
Ring Count	1
Rotatable Bond Count	3

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Purity	LeadTime	CAS	PacketSize	UnitPrice
95%	<2 Days	672952-07-7		$51.35-$598.69$51.35$63.37$86.31$374.73$598.69