1-[(3-bromo-2,6-difluorophenyl)methyl]-3-(trifluoromethyl)cyclohexan-1-ol

C14H14BrF5O — CID 106265387

IUPAC1-[(3-bromo-2,6-difluorophenyl)methyl]-3-(trifluoromethyl)cyclohexan-1-ol
SMILESOC1(Cc2c(F)ccc(Br)c2F)CCCC(C(F)(F)F)C1
InChIInChI=1S/C14H14BrF5O/c15-10-3-4-11(16)9(12(10)17)7-13(21)5-1-2-8(6-13)14(18,19)20/h3-4,8,21H,1-2,5-7H2
InChIKeyZQGNGRHYMRZZRP-UHFFFAOYSA-N
MW373.16 g/mol
LogP4.75
Rot. Bonds2

About 1-[(3-bromo-2,6-difluorophenyl)methyl]-3-(trifluoromethyl)cyclohexan-1-ol

1-[(3-bromo-2,6-difluorophenyl)methyl]-3-(trifluoromethyl)cyclohexan-1-ol (PubChem CID 106265387) has the molecular formula C14H14BrF5O and a molecular weight of 373.16 g/mol. Its IUPAC name is 1-[(3-bromo-2,6-difluorophenyl)methyl]-3-(trifluoromethyl)cyclohexan-1-ol.

Molecular Properties

Compound Name1-[(3-bromo-2,6-difluorophenyl)methyl]-3-(trifluoromethyl)cyclohexan-1-ol
PubChem CID106265387
Molecular FormulaC14H14BrF5O
Molecular Weight373.16 g/mol
Exact Mass372.01
IUPAC Name1-[(3-bromo-2,6-difluorophenyl)methyl]-3-(trifluoromethyl)cyclohexan-1-ol
SMILESOC1(Cc2c(F)ccc(Br)c2F)CCCC(C(F)(F)F)C1
InChIInChI=1S/C14H14BrF5O/c15-10-3-4-11(16)9(12(10)17)7-13(21)5-1-2-8(6-13)14(18,19)20/h3-4,8,21H,1-2,5-7H2
InChIKeyZQGNGRHYMRZZRP-UHFFFAOYSA-N
XLogP4.75
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.16
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

1-[(2,4-difluorophenyl)methyl]-3-(trifluoromethyl)cyclohexan-1-ol
CID 64759664
4-amino-1-[(3-bromo-2,6-difluorophenyl)methyl]cyclohexan-1-ol
CID 106265494
3-[(3-bromo-2,6-difluorophenyl)methyl]-1,1-dioxothiolan-3-ol
CID 114165872
[1-[(3-bromo-2,6-difluorophenyl)methyl]cyclopentyl]methanol
CID 106273685
1-[(3-bromo-2,6-difluorophenyl)methyl]cyclobutane-1-carboxylic acid
CID 106264797
1-[(3-bromo-2,6-difluorophenyl)methyl]-4-tert-butylcyclohexan-1-amine
CID 106265793
4-[(3-bromo-2,6-difluorophenyl)methyl]-1-propylazepan-4-ol
CID 106265398
cis-(1R,3R)-1-(aminomethyl)-3-(trifluoromethyl)cyclohexan-1-ol
CID 95278571
1-(5-bromo-2-fluorophenyl)-3-(trifluoromethyl)cyclohexan-1-ol
CID 79743510
2-(3-bromo-2,6-difluorophenyl)-1-cyclobutylethanone
CID 106266083
1-[(3-bromo-4-fluorophenyl)methyl]-3-methylcyclohexan-1-ol
CID 54971162
1-(aminomethyl)-3-(trifluoromethyl)cyclohexan-1-ol;hydrochloride
CID 75481559

Frequently Asked Questions

What is the IUPAC name of 1-[(3-bromo-2,6-difluorophenyl)methyl]-3-(trifluoromethyl)cyclohexan-1-ol?
The IUPAC name of 1-[(3-bromo-2,6-difluorophenyl)methyl]-3-(trifluoromethyl)cyclohexan-1-ol (CID 106265387) is 1-[(3-bromo-2,6-difluorophenyl)methyl]-3-(trifluoromethyl)cyclohexan-1-ol.
What is the SMILES notation for 1-[(3-bromo-2,6-difluorophenyl)methyl]-3-(trifluoromethyl)cyclohexan-1-ol?
The canonical SMILES for 1-[(3-bromo-2,6-difluorophenyl)methyl]-3-(trifluoromethyl)cyclohexan-1-ol is OC1(Cc2c(F)ccc(Br)c2F)CCCC(C(F)(F)F)C1.
What is the InChIKey of 1-[(3-bromo-2,6-difluorophenyl)methyl]-3-(trifluoromethyl)cyclohexan-1-ol?
The InChIKey is ZQGNGRHYMRZZRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrF5O/c15-10-3-4-11(16)9(12(10)17)7-13(21)5-1-2-8(6-13)14(18,19)20/h3-4,8,21H,1-2,5-7H2.
What are the key properties of 1-[(3-bromo-2,6-difluorophenyl)methyl]-3-(trifluoromethyl)cyclohexan-1-ol?
1-[(3-bromo-2,6-difluorophenyl)methyl]-3-(trifluoromethyl)cyclohexan-1-ol has a molecular weight of 373.16 g/mol, XLogP of 4.75, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-bromo-2,6-difluorophenyl)methyl]-3-(trifluoromethyl)cyclohexan-1-ol is sourced from PubChem (CID 106265387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).