1-[[1-(bromomethyl)cyclohexyl]methyl]-3-chloro-2-fluorobenzene

C14H17BrClF — CID 102863764

IUPAC1-[[1-(bromomethyl)cyclohexyl]methyl]-3-chloro-2-fluorobenzene
SMILESFc1c(Cl)cccc1CC1(CBr)CCCCC1
InChIInChI=1S/C14H17BrClF/c15-10-14(7-2-1-3-8-14)9-11-5-4-6-12(16)13(11)17/h4-6H,1-3,7-10H2
InChIKeyHGIYWFJNJCUDGE-UHFFFAOYSA-N
MW319.64 g/mol
LogP5.37
Rot. Bonds3

About 1-[[1-(bromomethyl)cyclohexyl]methyl]-3-chloro-2-fluorobenzene

1-[[1-(bromomethyl)cyclohexyl]methyl]-3-chloro-2-fluorobenzene (PubChem CID 102863764) has the molecular formula C14H17BrClF and a molecular weight of 319.64 g/mol. Its IUPAC name is 1-[[1-(bromomethyl)cyclohexyl]methyl]-3-chloro-2-fluorobenzene.

Molecular Properties

Compound Name1-[[1-(bromomethyl)cyclohexyl]methyl]-3-chloro-2-fluorobenzene
PubChem CID102863764
Molecular FormulaC14H17BrClF
Molecular Weight319.64 g/mol
Exact Mass318.02
IUPAC Name1-[[1-(bromomethyl)cyclohexyl]methyl]-3-chloro-2-fluorobenzene
SMILESFc1c(Cl)cccc1CC1(CBr)CCCCC1
InChIInChI=1S/C14H17BrClF/c15-10-14(7-2-1-3-8-14)9-11-5-4-6-12(16)13(11)17/h4-6H,1-3,7-10H2
InChIKeyHGIYWFJNJCUDGE-UHFFFAOYSA-N
XLogP5.37
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500319.64
LogP ≤ 55.37
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-[(3-chloro-2-fluorophenyl)methyl]cyclohexyl]methanol
CID 102863614
[1-[(3-chloro-2-fluorophenyl)methyl]cyclopentyl]methanol
CID 102863615
1-[1-[(3-chloro-2-fluorophenyl)methyl]cyclohexyl]-N-methylmethanamine
CID 102858759
3-(bromomethyl)-3-[(3-chloro-2-fluorophenyl)methyl]oxolane
CID 102863787
[1-[(3-chloro-2-fluorophenyl)methyl]cyclobutyl]methanamine
CID 102858966
1-[[1-(bromomethyl)cyclobutyl]methyl]-2,3-difluorobenzene
CID 66048663
N-[[1-[(3-chloro-2-fluorophenyl)methyl]cyclohexyl]methyl]propan-1-amine
CID 102858764
N-[[1-[(3-chloro-2-fluorophenyl)methyl]cyclobutyl]methyl]propan-1-amine
CID 102858970
N-[[1-[(3-chloro-2-fluorophenyl)methyl]cyclopropyl]methyl]propan-2-amine
CID 102859001
1-[(3-chloro-2-fluorophenyl)methyl]cyclopropan-1-ol
CID 117289578
1-[[1-(bromomethyl)cyclohexyl]methyl]-2,4-dichlorobenzene
CID 66051088
8-[(3-chloro-2-fluorophenyl)methyl]spiro[4.5]decan-8-ol
CID 102857061

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(bromomethyl)cyclohexyl]methyl]-3-chloro-2-fluorobenzene?
The IUPAC name of 1-[[1-(bromomethyl)cyclohexyl]methyl]-3-chloro-2-fluorobenzene (CID 102863764) is 1-[[1-(bromomethyl)cyclohexyl]methyl]-3-chloro-2-fluorobenzene.
What is the SMILES notation for 1-[[1-(bromomethyl)cyclohexyl]methyl]-3-chloro-2-fluorobenzene?
The canonical SMILES for 1-[[1-(bromomethyl)cyclohexyl]methyl]-3-chloro-2-fluorobenzene is Fc1c(Cl)cccc1CC1(CBr)CCCCC1.
What is the InChIKey of 1-[[1-(bromomethyl)cyclohexyl]methyl]-3-chloro-2-fluorobenzene?
The InChIKey is HGIYWFJNJCUDGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrClF/c15-10-14(7-2-1-3-8-14)9-11-5-4-6-12(16)13(11)17/h4-6H,1-3,7-10H2.
What are the key properties of 1-[[1-(bromomethyl)cyclohexyl]methyl]-3-chloro-2-fluorobenzene?
1-[[1-(bromomethyl)cyclohexyl]methyl]-3-chloro-2-fluorobenzene has a molecular weight of 319.64 g/mol, XLogP of 5.37, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(bromomethyl)cyclohexyl]methyl]-3-chloro-2-fluorobenzene is sourced from PubChem (CID 102863764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).