[2,4-bis(trifluoromethyl)phenyl]-cyclopropylmethanol

C12H10F6O — CID 139965713

IUPAC[2,4-bis(trifluoromethyl)phenyl]-cyclopropylmethanol
SMILESOC(c1ccc(C(F)(F)F)cc1C(F)(F)F)C1CC1
InChIInChI=1S/C12H10F6O/c13-11(14,15)7-3-4-8(10(19)6-1-2-6)9(5-7)12(16,17)18/h3-6,10,19H,1-2H2
InChIKeyAKWBTFMTASCHBP-UHFFFAOYSA-N
MW284.20 g/mol
LogP4.17
Rot. Bonds2

About [2,4-bis(trifluoromethyl)phenyl]-cyclopropylmethanol

[2,4-bis(trifluoromethyl)phenyl]-cyclopropylmethanol (PubChem CID 139965713) has the molecular formula C12H10F6O and a molecular weight of 284.20 g/mol. Its IUPAC name is [2,4-bis(trifluoromethyl)phenyl]-cyclopropylmethanol.

Molecular Properties

Compound Name[2,4-bis(trifluoromethyl)phenyl]-cyclopropylmethanol
PubChem CID139965713
Molecular FormulaC12H10F6O
Molecular Weight284.20 g/mol
Exact Mass284.06
IUPAC Name[2,4-bis(trifluoromethyl)phenyl]-cyclopropylmethanol
SMILESOC(c1ccc(C(F)(F)F)cc1C(F)(F)F)C1CC1
InChIInChI=1S/C12H10F6O/c13-11(14,15)7-3-4-8(10(19)6-1-2-6)9(5-7)12(16,17)18/h3-6,10,19H,1-2H2
InChIKeyAKWBTFMTASCHBP-UHFFFAOYSA-N
XLogP4.17
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.20
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

cyclobutyl-[2-methyl-4-(trifluoromethyl)phenyl]methanol
CID 102751758
[4-bromo-2-(trifluoromethyl)phenyl]-(4-methylcyclohexyl)methanol
CID 64776028
(S)-[2,4-bis(trifluoromethyl)phenyl]-cyclopentylmethanamine
CID 171229856
(S)-[2,4-bis(trifluoromethyl)phenyl]-cyclohexylmethanamine
CID 171229858
1-propan-2-yl-2,4-bis(trifluoromethyl)benzene
CID 20613821
cyclohexyl-[2-(trifluoromethyl)phenyl]methanol
CID 62801472
(S)-[2,5-bis(trifluoromethyl)phenyl]-cyclopropylmethanamine;hydrochloride
CID 171228434
[2,6-bis(trifluoromethyl)phenyl]-cyclopropylmethanol
CID 139965741
(1R)-1-[2,4-bis(trifluoromethyl)phenyl]-2,2,2-trifluoroethanamine
CID 66512665
(1R,2S)-1-amino-1-[2,4-bis(trifluoromethyl)phenyl]-3-methylbutan-2-ol
CID 171264197
[2,4-bis(trifluoromethyl)phenyl]-(4-chlorophenyl)methanol
CID 54576991
2-[2,4-bis(trifluoromethyl)phenyl]-4-[[2,4-bis(trifluoromethyl)phenyl]-hydroxymethyl]-3-hydroxy-3,4-dihydropyrazole-5-carbonitrile
CID 172578521

Frequently Asked Questions

What is the IUPAC name of [2,4-bis(trifluoromethyl)phenyl]-cyclopropylmethanol?
The IUPAC name of [2,4-bis(trifluoromethyl)phenyl]-cyclopropylmethanol (CID 139965713) is [2,4-bis(trifluoromethyl)phenyl]-cyclopropylmethanol.
What is the SMILES notation for [2,4-bis(trifluoromethyl)phenyl]-cyclopropylmethanol?
The canonical SMILES for [2,4-bis(trifluoromethyl)phenyl]-cyclopropylmethanol is OC(c1ccc(C(F)(F)F)cc1C(F)(F)F)C1CC1.
What is the InChIKey of [2,4-bis(trifluoromethyl)phenyl]-cyclopropylmethanol?
The InChIKey is AKWBTFMTASCHBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F6O/c13-11(14,15)7-3-4-8(10(19)6-1-2-6)9(5-7)12(16,17)18/h3-6,10,19H,1-2H2.
What are the key properties of [2,4-bis(trifluoromethyl)phenyl]-cyclopropylmethanol?
[2,4-bis(trifluoromethyl)phenyl]-cyclopropylmethanol has a molecular weight of 284.20 g/mol, XLogP of 4.17, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2,4-bis(trifluoromethyl)phenyl]-cyclopropylmethanol is sourced from PubChem (CID 139965713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).