4-[(2-chloro-4-fluorophenyl)methyl]-4-fluorocyclohexan-1-amine

C13H16ClF2N — CID 112562267

IUPAC4-[(2-chloro-4-fluorophenyl)methyl]-4-fluorocyclohexan-1-amine
SMILESNC1CCC(F)(Cc2ccc(F)cc2Cl)CC1
InChIInChI=1S/C13H16ClF2N/c14-12-7-10(15)2-1-9(12)8-13(16)5-3-11(17)4-6-13/h1-2,7,11H,3-6,8,17H2
InChIKeyWMQDMTOWKDSOJF-UHFFFAOYSA-N
MW259.73 g/mol
LogP3.63
Rot. Bonds2

About 4-[(2-chloro-4-fluorophenyl)methyl]-4-fluorocyclohexan-1-amine

4-[(2-chloro-4-fluorophenyl)methyl]-4-fluorocyclohexan-1-amine (PubChem CID 112562267) has the molecular formula C13H16ClF2N and a molecular weight of 259.73 g/mol. Its IUPAC name is 4-[(2-chloro-4-fluorophenyl)methyl]-4-fluorocyclohexan-1-amine.

Molecular Properties

Compound Name4-[(2-chloro-4-fluorophenyl)methyl]-4-fluorocyclohexan-1-amine
PubChem CID112562267
Molecular FormulaC13H16ClF2N
Molecular Weight259.73 g/mol
Exact Mass259.09
IUPAC Name4-[(2-chloro-4-fluorophenyl)methyl]-4-fluorocyclohexan-1-amine
SMILESNC1CCC(F)(Cc2ccc(F)cc2Cl)CC1
InChIInChI=1S/C13H16ClF2N/c14-12-7-10(15)2-1-9(12)8-13(16)5-3-11(17)4-6-13/h1-2,7,11H,3-6,8,17H2
InChIKeyWMQDMTOWKDSOJF-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-[(2-chloro-5-fluorophenyl)methyl]-3-fluorocyclopentan-1-amine
CID 102622008
4-[(3-chloro-2-fluorophenyl)methyl]-4-fluorocyclohexan-1-amine
CID 102864805
2-(aminomethyl)-2-[(2-chloro-4-fluorophenyl)methyl]cyclopentan-1-ol
CID 65395688
4-[(2-chloro-6-fluorophenyl)methyl]-4-fluorocyclohexan-1-amine
CID 112562293
4-[(2-chloro-4-fluorophenyl)methoxy]cyclohexan-1-amine
CID 62807216
4-[(2-chloro-4-fluorophenyl)methyl]oxan-4-amine
CID 63220505
1-[(2-chloro-4-fluorophenyl)methyl]-4-methylcycloheptan-1-amine
CID 65080210
8-amino-2-[(2-chloro-4-fluorophenyl)methyl]-3-methyl-2-azaspiro[4.5]decan-1-one
CID 134479372
1-[[4-butyl-1-(chloromethyl)cyclohexyl]methyl]-2-chloro-4-fluorobenzene
CID 66034851
3-[(2-chloro-4-methylphenyl)methyl]-3-fluorocyclohexan-1-amine
CID 106871133
1-[(2-chloro-4-fluorophenyl)methyl]cyclobutane-1-carbaldehyde
CID 131113843
1-[(2-chloro-4-fluorophenyl)methyl]-3-methoxycyclohexan-1-ol
CID 106873962

Frequently Asked Questions

What is the IUPAC name of 4-[(2-chloro-4-fluorophenyl)methyl]-4-fluorocyclohexan-1-amine?
The IUPAC name of 4-[(2-chloro-4-fluorophenyl)methyl]-4-fluorocyclohexan-1-amine (CID 112562267) is 4-[(2-chloro-4-fluorophenyl)methyl]-4-fluorocyclohexan-1-amine.
What is the SMILES notation for 4-[(2-chloro-4-fluorophenyl)methyl]-4-fluorocyclohexan-1-amine?
The canonical SMILES for 4-[(2-chloro-4-fluorophenyl)methyl]-4-fluorocyclohexan-1-amine is NC1CCC(F)(Cc2ccc(F)cc2Cl)CC1.
What is the InChIKey of 4-[(2-chloro-4-fluorophenyl)methyl]-4-fluorocyclohexan-1-amine?
The InChIKey is WMQDMTOWKDSOJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClF2N/c14-12-7-10(15)2-1-9(12)8-13(16)5-3-11(17)4-6-13/h1-2,7,11H,3-6,8,17H2.
What are the key properties of 4-[(2-chloro-4-fluorophenyl)methyl]-4-fluorocyclohexan-1-amine?
4-[(2-chloro-4-fluorophenyl)methyl]-4-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 4-[(2-chloro-4-fluorophenyl)methyl]-4-fluorocyclohexan-1-amine is sourced from PubChem (CID 112562267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).