4-(2,2,2-trifluoroethyl)benzaldehyde

4-(2,2,2-trifluoroethyl)benzaldehyde

CAS: 1360594-78-0

Formula: C9H7F3O

SMILES: FC(F)(F)CC1=CC=C(C=O)C=C1

IUPAC: 4-(2,2,2-trifluoroethyl)benzaldehyde

InChI: InChI=1S/C9H7F3O/c10-9(11,12)5-7-1-3-8(6-13)4-2-7/h1-4,6H,5H2

Composition: C (57.45%), H (3.75%), F (30.29%), O (8.50%)

Molar Mass: 188.149

Atom Count: 20

Heavy Atom Count: 13

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	188.044899334
Formal Charge	0
FSP3	0.22
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
InChIKey	PCYNRZZHBBBWCC-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	43.07
Topological Polar Surface Area	17.07
Polarizability	15.19
Ring Count	1
Rotatable Bond Count	3

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