4-[4-(bromomethyl)cyclohexyl]-2-fluoro-1-(4-fluorophenyl)benzene

C19H19BrF2 — CID 23364832

IUPAC4-[4-(bromomethyl)cyclohexyl]-2-fluoro-1-(4-fluorophenyl)benzene
SMILESFc1ccc(-c2ccc(C3CCC(CBr)CC3)cc2F)cc1
InChIInChI=1S/C19H19BrF2/c20-12-13-1-3-14(4-2-13)16-7-10-18(19(22)11-16)15-5-8-17(21)9-6-15/h5-11,13-14H,1-4,12H2
InChIKeyOAGVCUQPADQSDM-UHFFFAOYSA-N
MW365.26 g/mol
LogP6.30
Rot. Bonds3

About 4-[4-(bromomethyl)cyclohexyl]-2-fluoro-1-(4-fluorophenyl)benzene

4-[4-(bromomethyl)cyclohexyl]-2-fluoro-1-(4-fluorophenyl)benzene (PubChem CID 23364832) has the molecular formula C19H19BrF2 and a molecular weight of 365.26 g/mol. Its IUPAC name is 4-[4-(bromomethyl)cyclohexyl]-2-fluoro-1-(4-fluorophenyl)benzene.

Molecular Properties

Compound Name4-[4-(bromomethyl)cyclohexyl]-2-fluoro-1-(4-fluorophenyl)benzene
PubChem CID23364832
Molecular FormulaC19H19BrF2
Molecular Weight365.26 g/mol
Exact Mass364.06
IUPAC Name4-[4-(bromomethyl)cyclohexyl]-2-fluoro-1-(4-fluorophenyl)benzene
SMILESFc1ccc(-c2ccc(C3CCC(CBr)CC3)cc2F)cc1
InChIInChI=1S/C19H19BrF2/c20-12-13-1-3-14(4-2-13)16-7-10-18(19(22)11-16)15-5-8-17(21)9-6-15/h5-11,13-14H,1-4,12H2
InChIKeyOAGVCUQPADQSDM-UHFFFAOYSA-N
XLogP6.30
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.26
LogP ≤ 56.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-[4-(bromomethyl)cyclohexyl]-4-fluorobenzene
CID 177244995
1-[4-(4-ethylcyclohexyl)phenyl]-2,4-difluorobenzene
CID 67806520
2-fluoro-4-(4-pentylcyclohexyl)-1-[4-(4-pentylcyclohexyl)phenyl]benzene
CID 3093740
[4-[4-[3-fluoro-4-(4-methylphenyl)phenyl]cyclohexyl]cyclohexyl]methylsilane
CID 137329327
(2R,4aR,8aR)-2-[3-fluoro-4-(4-fluorophenyl)phenyl]-6-pentyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 20809228
2,3-difluoro-1-[4-[2-fluoro-4-(4-propylcyclohexyl)phenyl]phenyl]-4-methylbenzene
CID 67729692
4-cyclohexyl-1-[4-(cyclohexylmethyl)phenyl]-2-fluorobenzene
CID 134447488
1-[4-(4-butylcyclohexyl)-2-fluorophenyl]-3,5-difluorobenzene
CID 139710939
carbonic acid;4-cyclopropyl-2-fluoro-1-phenylbenzene
CID 121300210
4-(4-but-3-enylcyclohexyl)-1-(4-ethylphenyl)-2-fluorobenzene
CID 140843040
2-fluoro-4-[4-(3-methoxypropyl)cyclohexyl]-1-[4-(4-propylcyclohexyl)phenyl]benzene
CID 23297299
CID 19080554
CID 19080554

Frequently Asked Questions

What is the IUPAC name of 4-[4-(bromomethyl)cyclohexyl]-2-fluoro-1-(4-fluorophenyl)benzene?
The IUPAC name of 4-[4-(bromomethyl)cyclohexyl]-2-fluoro-1-(4-fluorophenyl)benzene (CID 23364832) is 4-[4-(bromomethyl)cyclohexyl]-2-fluoro-1-(4-fluorophenyl)benzene.
What is the SMILES notation for 4-[4-(bromomethyl)cyclohexyl]-2-fluoro-1-(4-fluorophenyl)benzene?
The canonical SMILES for 4-[4-(bromomethyl)cyclohexyl]-2-fluoro-1-(4-fluorophenyl)benzene is Fc1ccc(-c2ccc(C3CCC(CBr)CC3)cc2F)cc1.
What is the InChIKey of 4-[4-(bromomethyl)cyclohexyl]-2-fluoro-1-(4-fluorophenyl)benzene?
The InChIKey is OAGVCUQPADQSDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19BrF2/c20-12-13-1-3-14(4-2-13)16-7-10-18(19(22)11-16)15-5-8-17(21)9-6-15/h5-11,13-14H,1-4,12H2.
What are the key properties of 4-[4-(bromomethyl)cyclohexyl]-2-fluoro-1-(4-fluorophenyl)benzene?
4-[4-(bromomethyl)cyclohexyl]-2-fluoro-1-(4-fluorophenyl)benzene has a molecular weight of 365.26 g/mol, XLogP of 6.30, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(bromomethyl)cyclohexyl]-2-fluoro-1-(4-fluorophenyl)benzene is sourced from PubChem (CID 23364832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).