3-[(4-chloro-3-fluorophenyl)methyl]-3-fluorocyclohexan-1-amine

C13H16ClF2N — CID 114013147

IUPAC3-[(4-chloro-3-fluorophenyl)methyl]-3-fluorocyclohexan-1-amine
SMILESNC1CCCC(F)(Cc2ccc(Cl)c(F)c2)C1
InChIInChI=1S/C13H16ClF2N/c14-11-4-3-9(6-12(11)15)7-13(16)5-1-2-10(17)8-13/h3-4,6,10H,1-2,5,7-8,17H2
InChIKeyWVVYNUNNLIPANC-UHFFFAOYSA-N
MW259.73 g/mol
LogP3.63
Rot. Bonds2

About 3-[(4-chloro-3-fluorophenyl)methyl]-3-fluorocyclohexan-1-amine

3-[(4-chloro-3-fluorophenyl)methyl]-3-fluorocyclohexan-1-amine (PubChem CID 114013147) has the molecular formula C13H16ClF2N and a molecular weight of 259.73 g/mol. Its IUPAC name is 3-[(4-chloro-3-fluorophenyl)methyl]-3-fluorocyclohexan-1-amine.

Molecular Properties

Compound Name3-[(4-chloro-3-fluorophenyl)methyl]-3-fluorocyclohexan-1-amine
PubChem CID114013147
Molecular FormulaC13H16ClF2N
Molecular Weight259.73 g/mol
Exact Mass259.09
IUPAC Name3-[(4-chloro-3-fluorophenyl)methyl]-3-fluorocyclohexan-1-amine
SMILESNC1CCCC(F)(Cc2ccc(Cl)c(F)c2)C1
InChIInChI=1S/C13H16ClF2N/c14-11-4-3-9(6-12(11)15)7-13(16)5-1-2-10(17)8-13/h3-4,6,10H,1-2,5,7-8,17H2
InChIKeyWVVYNUNNLIPANC-UHFFFAOYSA-N
XLogP3.63
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.73
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-[(4-chloro-3-fluorophenyl)methyl]-3-fluorocyclobutan-1-amine
CID 107889770
3-[(3,5-difluorophenyl)methyl]-3-fluorocyclohexan-1-amine
CID 105411759
3-[(2-chlorophenyl)methyl]-3-fluorocyclohexan-1-amine
CID 112567490
4-[(3-amino-1-fluorocyclohexyl)methyl]pyridin-2-amine
CID 112567457
1-[(4-chloro-3-fluorophenyl)methyl]-3-ethylcyclohexan-1-amine
CID 114012587
3-[(2-chloro-4-methylphenyl)methyl]-3-fluorocyclohexan-1-amine
CID 106871133
3-fluoro-3-[[3-(trifluoromethyl)phenyl]methyl]cyclohexan-1-amine
CID 112567629
3-[(3,4-difluorophenyl)methyl]-3-fluorocyclobutan-1-amine
CID 112563919
1-[(4-chloro-3-fluorophenyl)methyl]-4-ethylcyclohexan-1-amine
CID 107883803
1-[(4-chloro-3-fluorophenyl)methyl]-4-methylcycloheptan-1-amine
CID 114012591
3-[(2-chloro-5-fluorophenyl)methyl]-3-fluorocyclopentan-1-amine
CID 102622008
3-[(4-chloro-3-fluorophenyl)methyl]cycloheptan-1-amine
CID 107888146

Frequently Asked Questions

What is the IUPAC name of 3-[(4-chloro-3-fluorophenyl)methyl]-3-fluorocyclohexan-1-amine?
The IUPAC name of 3-[(4-chloro-3-fluorophenyl)methyl]-3-fluorocyclohexan-1-amine (CID 114013147) is 3-[(4-chloro-3-fluorophenyl)methyl]-3-fluorocyclohexan-1-amine.
What is the SMILES notation for 3-[(4-chloro-3-fluorophenyl)methyl]-3-fluorocyclohexan-1-amine?
The canonical SMILES for 3-[(4-chloro-3-fluorophenyl)methyl]-3-fluorocyclohexan-1-amine is NC1CCCC(F)(Cc2ccc(Cl)c(F)c2)C1.
What is the InChIKey of 3-[(4-chloro-3-fluorophenyl)methyl]-3-fluorocyclohexan-1-amine?
The InChIKey is WVVYNUNNLIPANC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClF2N/c14-11-4-3-9(6-12(11)15)7-13(16)5-1-2-10(17)8-13/h3-4,6,10H,1-2,5,7-8,17H2.
What are the key properties of 3-[(4-chloro-3-fluorophenyl)methyl]-3-fluorocyclohexan-1-amine?
3-[(4-chloro-3-fluorophenyl)methyl]-3-fluorocyclohexan-1-amine has a molecular weight of 259.73 g/mol, XLogP of 3.63, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-chloro-3-fluorophenyl)methyl]-3-fluorocyclohexan-1-amine is sourced from PubChem (CID 114013147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).