(5-bromo-2-fluorophenyl)-[2-(trifluoromethyl)cyclohexyl]methanol

C14H15BrF4O — CID 105113662

IUPAC(5-bromo-2-fluorophenyl)-[2-(trifluoromethyl)cyclohexyl]methanol
SMILESOC(c1cc(Br)ccc1F)C1CCCCC1C(F)(F)F
InChIInChI=1S/C14H15BrF4O/c15-8-5-6-12(16)10(7-8)13(20)9-3-1-2-4-11(9)14(17,18)19/h5-7,9,11,13,20H,1-4H2
InChIKeyCXQMYJHJPKJKNI-UHFFFAOYSA-N
MW355.17 g/mol
LogP4.99
Rot. Bonds2

About (5-bromo-2-fluorophenyl)-[2-(trifluoromethyl)cyclohexyl]methanol

(5-bromo-2-fluorophenyl)-[2-(trifluoromethyl)cyclohexyl]methanol (PubChem CID 105113662) has the molecular formula C14H15BrF4O and a molecular weight of 355.17 g/mol. Its IUPAC name is (5-bromo-2-fluorophenyl)-[2-(trifluoromethyl)cyclohexyl]methanol.

Molecular Properties

Compound Name(5-bromo-2-fluorophenyl)-[2-(trifluoromethyl)cyclohexyl]methanol
PubChem CID105113662
Molecular FormulaC14H15BrF4O
Molecular Weight355.17 g/mol
Exact Mass354.02
IUPAC Name(5-bromo-2-fluorophenyl)-[2-(trifluoromethyl)cyclohexyl]methanol
SMILESOC(c1cc(Br)ccc1F)C1CCCCC1C(F)(F)F
InChIInChI=1S/C14H15BrF4O/c15-8-5-6-12(16)10(7-8)13(20)9-3-1-2-4-11(9)14(17,18)19/h5-7,9,11,13,20H,1-4H2
InChIKeyCXQMYJHJPKJKNI-UHFFFAOYSA-N
XLogP4.99
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.17
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(R)-(4-bromo-2-fluorophenyl)-cyclopentylmethanol
CID 96691275
(5-bromo-2-fluorophenyl)-(2,2-dimethylcyclopropyl)methanol
CID 107005403
(R)-(4-bromo-2-fluorophenyl)-cyclohexylmethanol
CID 97027176
(2,3-dimethylphenyl)-[2-(trifluoromethyl)cyclohexyl]methanol
CID 105091901
(5-bromo-2-fluorophenyl)-cyclohexylmethanamine
CID 79742739
(R)-(5-bromo-2-fluorophenyl)-cyclohexylmethanamine
CID 171200620
(5-bromo-2-fluorophenyl)-(3-methyloxolan-2-yl)methanol
CID 115820768
(3-chlorophenyl)-[2-(trifluoromethyl)cyclohexyl]methanol
CID 105081334
(5-bromo-2-fluorophenyl)-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)methanol
CID 105113661
(R)-cycloheptyl-(2,5-difluorophenyl)methanol
CID 94502433
cycloheptyl-(2,5-difluorophenyl)methanol
CID 55091243
(5-bromo-2-fluorophenyl)-(5-methyloxolan-3-yl)methanol
CID 115820673

Frequently Asked Questions

What is the IUPAC name of (5-bromo-2-fluorophenyl)-[2-(trifluoromethyl)cyclohexyl]methanol?
The IUPAC name of (5-bromo-2-fluorophenyl)-[2-(trifluoromethyl)cyclohexyl]methanol (CID 105113662) is (5-bromo-2-fluorophenyl)-[2-(trifluoromethyl)cyclohexyl]methanol.
What is the SMILES notation for (5-bromo-2-fluorophenyl)-[2-(trifluoromethyl)cyclohexyl]methanol?
The canonical SMILES for (5-bromo-2-fluorophenyl)-[2-(trifluoromethyl)cyclohexyl]methanol is OC(c1cc(Br)ccc1F)C1CCCCC1C(F)(F)F.
What is the InChIKey of (5-bromo-2-fluorophenyl)-[2-(trifluoromethyl)cyclohexyl]methanol?
The InChIKey is CXQMYJHJPKJKNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrF4O/c15-8-5-6-12(16)10(7-8)13(20)9-3-1-2-4-11(9)14(17,18)19/h5-7,9,11,13,20H,1-4H2.
What are the key properties of (5-bromo-2-fluorophenyl)-[2-(trifluoromethyl)cyclohexyl]methanol?
(5-bromo-2-fluorophenyl)-[2-(trifluoromethyl)cyclohexyl]methanol has a molecular weight of 355.17 g/mol, XLogP of 4.99, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-2-fluorophenyl)-[2-(trifluoromethyl)cyclohexyl]methanol is sourced from PubChem (CID 105113662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).