4-(2,5-difluorophenyl)cyclohexan-1-amine

C12H15F2N — CID 83261679

IUPAC4-(2,5-difluorophenyl)cyclohexan-1-amine
SMILESNC1CCC(c2cc(F)ccc2F)CC1
InChIInChI=1S/C12H15F2N/c13-9-3-6-12(14)11(7-9)8-1-4-10(15)5-2-8/h3,6-8,10H,1-2,4-5,15H2
InChIKeyNQBGSSLMBQKCOB-UHFFFAOYSA-N
MW211.25 g/mol
LogP2.95
Rot. Bonds1

About 4-(2,5-difluorophenyl)cyclohexan-1-amine

4-(2,5-difluorophenyl)cyclohexan-1-amine (PubChem CID 83261679) has the molecular formula C12H15F2N and a molecular weight of 211.25 g/mol. Its IUPAC name is 4-(2,5-difluorophenyl)cyclohexan-1-amine.

Molecular Properties

Compound Name4-(2,5-difluorophenyl)cyclohexan-1-amine
PubChem CID83261679
Molecular FormulaC12H15F2N
Molecular Weight211.25 g/mol
Exact Mass211.12
IUPAC Name4-(2,5-difluorophenyl)cyclohexan-1-amine
SMILESNC1CCC(c2cc(F)ccc2F)CC1
InChIInChI=1S/C12H15F2N/c13-9-3-6-12(14)11(7-9)8-1-4-10(15)5-2-8/h3,6-8,10H,1-2,4-5,15H2
InChIKeyNQBGSSLMBQKCOB-UHFFFAOYSA-N
XLogP2.95
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.25
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-(2,5-difluorophenyl)cyclohexan-1-ol
CID 116963227
4-(2,5-difluorophenyl)-N-methylcyclohexan-1-amine
CID 116962663
3-(2,5-difluorophenyl)cyclopentan-1-one
CID 64521922
(2S)-2-(2,5-difluorophenyl)azetidine
CID 55278103
(2-cyclopropyl-4-fluorophenyl)methanamine;hydrochloride
CID 154810076
2-(2,5-difluorophenyl)oxan-3-amine
CID 79365961
4-(4-chloro-2-methylphenyl)cyclohexan-1-amine
CID 134447858
3-(2,5-difluorophenyl)pyrrolidine-1-carbothioamide
CID 134367809
2-cyclohexyl-4-fluoroaniline
CID 15335253
4-[3-(2,5-difluorophenyl)oxetan-3-yl]cyclohexan-1-amine
CID 116871274
1-(4-chlorophenyl)sulfonyl-4-(2,5-difluorophenyl)piperidine
CID 23028687
1-[(1S,4S)-2-bicyclo[2.2.1]heptanyl]-4-(2,5-difluorophenyl)piperidine
CID 58772037

Frequently Asked Questions

What is the IUPAC name of 4-(2,5-difluorophenyl)cyclohexan-1-amine?
The IUPAC name of 4-(2,5-difluorophenyl)cyclohexan-1-amine (CID 83261679) is 4-(2,5-difluorophenyl)cyclohexan-1-amine.
What is the SMILES notation for 4-(2,5-difluorophenyl)cyclohexan-1-amine?
The canonical SMILES for 4-(2,5-difluorophenyl)cyclohexan-1-amine is NC1CCC(c2cc(F)ccc2F)CC1.
What is the InChIKey of 4-(2,5-difluorophenyl)cyclohexan-1-amine?
The InChIKey is NQBGSSLMBQKCOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F2N/c13-9-3-6-12(14)11(7-9)8-1-4-10(15)5-2-8/h3,6-8,10H,1-2,4-5,15H2.
What are the key properties of 4-(2,5-difluorophenyl)cyclohexan-1-amine?
4-(2,5-difluorophenyl)cyclohexan-1-amine has a molecular weight of 211.25 g/mol, XLogP of 2.95, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-difluorophenyl)cyclohexan-1-amine is sourced from PubChem (CID 83261679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).