(3-bromo-2,6-difluorophenyl)-[4-(trifluoromethyl)cyclohexyl]methanol

C14H14BrF5O — CID 106945185

IUPAC(3-bromo-2,6-difluorophenyl)-[4-(trifluoromethyl)cyclohexyl]methanol
SMILESOC(c1c(F)ccc(Br)c1F)C1CCC(C(F)(F)F)CC1
InChIInChI=1S/C14H14BrF5O/c15-9-5-6-10(16)11(12(9)17)13(21)7-1-3-8(4-2-7)14(18,19)20/h5-8,13,21H,1-4H2
InChIKeyZNKWTDNJGQUKKU-UHFFFAOYSA-N
MW373.16 g/mol
LogP5.13
Rot. Bonds2

About (3-bromo-2,6-difluorophenyl)-[4-(trifluoromethyl)cyclohexyl]methanol

(3-bromo-2,6-difluorophenyl)-[4-(trifluoromethyl)cyclohexyl]methanol (PubChem CID 106945185) has the molecular formula C14H14BrF5O and a molecular weight of 373.16 g/mol. Its IUPAC name is (3-bromo-2,6-difluorophenyl)-[4-(trifluoromethyl)cyclohexyl]methanol.

Molecular Properties

Compound Name(3-bromo-2,6-difluorophenyl)-[4-(trifluoromethyl)cyclohexyl]methanol
PubChem CID106945185
Molecular FormulaC14H14BrF5O
Molecular Weight373.16 g/mol
Exact Mass372.01
IUPAC Name(3-bromo-2,6-difluorophenyl)-[4-(trifluoromethyl)cyclohexyl]methanol
SMILESOC(c1c(F)ccc(Br)c1F)C1CCC(C(F)(F)F)CC1
InChIInChI=1S/C14H14BrF5O/c15-9-5-6-10(16)11(12(9)17)13(21)7-1-3-8(4-2-7)14(18,19)20/h5-8,13,21H,1-4H2
InChIKeyZNKWTDNJGQUKKU-UHFFFAOYSA-N
XLogP5.13
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.16
LogP ≤ 55.13
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

(3-bromo-2,6-difluorophenyl)-[4-(trifluoromethyl)cyclohexyl]methanamine
CID 106944937
1-(3-bromo-2,6-difluorophenyl)-2-cyclopropylethane-1,2-diol
CID 106942151
cyclopropyl-(2,3,6-trifluorophenyl)methanol
CID 139965789
[(3-bromo-2,6-difluorophenyl)-cyclopropylmethyl]hydrazine
CID 106945257
(2-bromo-3-chloro-6-fluorophenyl)-cyclopropylmethanol
CID 171366108
(2,3-difluoro-4-methylphenyl)-[4-(trifluoromethyl)cyclohexyl]methanol
CID 107516176
1-(3-bromo-2,6-difluorophenyl)-2-chloro-2,2-difluoroethanol
CID 106942092
(R)-(3-bromo-2,6-difluorophenyl)-cyclobutylmethanamine
CID 131561213
[1-(3-bromo-2,6-difluorophenyl)-2-cyclobutylethyl]hydrazine
CID 106945539
(3-bromo-2-fluorophenyl)-(4-tert-butylcyclohexyl)methanol
CID 106644575
(2,6-difluorophenyl)-[4-(trifluoromethyl)cyclohexyl]methanamine
CID 105149474
cyclopropyl-(2,3,4,6-tetrafluorophenyl)methanol
CID 139965756

Frequently Asked Questions

What is the IUPAC name of (3-bromo-2,6-difluorophenyl)-[4-(trifluoromethyl)cyclohexyl]methanol?
The IUPAC name of (3-bromo-2,6-difluorophenyl)-[4-(trifluoromethyl)cyclohexyl]methanol (CID 106945185) is (3-bromo-2,6-difluorophenyl)-[4-(trifluoromethyl)cyclohexyl]methanol.
What is the SMILES notation for (3-bromo-2,6-difluorophenyl)-[4-(trifluoromethyl)cyclohexyl]methanol?
The canonical SMILES for (3-bromo-2,6-difluorophenyl)-[4-(trifluoromethyl)cyclohexyl]methanol is OC(c1c(F)ccc(Br)c1F)C1CCC(C(F)(F)F)CC1.
What is the InChIKey of (3-bromo-2,6-difluorophenyl)-[4-(trifluoromethyl)cyclohexyl]methanol?
The InChIKey is ZNKWTDNJGQUKKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrF5O/c15-9-5-6-10(16)11(12(9)17)13(21)7-1-3-8(4-2-7)14(18,19)20/h5-8,13,21H,1-4H2.
What are the key properties of (3-bromo-2,6-difluorophenyl)-[4-(trifluoromethyl)cyclohexyl]methanol?
(3-bromo-2,6-difluorophenyl)-[4-(trifluoromethyl)cyclohexyl]methanol has a molecular weight of 373.16 g/mol, XLogP of 5.13, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-2,6-difluorophenyl)-[4-(trifluoromethyl)cyclohexyl]methanol is sourced from PubChem (CID 106945185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).