1-N-(2,6-difluorophenyl)cyclohexane-1,3-diamine

C12H16F2N2 — CID 79458634

IUPAC1-N-(2,6-difluorophenyl)cyclohexane-1,3-diamine
SMILESNC1CCCC(Nc2c(F)cccc2F)C1
InChIInChI=1S/C12H16F2N2/c13-10-5-2-6-11(14)12(10)16-9-4-1-3-8(15)7-9/h2,5-6,8-9,16H,1,3-4,7,15H2
InChIKeyYAGXMYYDAWCUAL-UHFFFAOYSA-N
MW226.27 g/mol
LogP2.65
Rot. Bonds2

About 1-N-(2,6-difluorophenyl)cyclohexane-1,3-diamine

1-N-(2,6-difluorophenyl)cyclohexane-1,3-diamine (PubChem CID 79458634) has the molecular formula C12H16F2N2 and a molecular weight of 226.27 g/mol. Its IUPAC name is 1-N-(2,6-difluorophenyl)cyclohexane-1,3-diamine.

Molecular Properties

Compound Name1-N-(2,6-difluorophenyl)cyclohexane-1,3-diamine
PubChem CID79458634
Molecular FormulaC12H16F2N2
Molecular Weight226.27 g/mol
Exact Mass226.13
IUPAC Name1-N-(2,6-difluorophenyl)cyclohexane-1,3-diamine
SMILESNC1CCCC(Nc2c(F)cccc2F)C1
InChIInChI=1S/C12H16F2N2/c13-10-5-2-6-11(14)12(10)16-9-4-1-3-8(15)7-9/h2,5-6,8-9,16H,1,3-4,7,15H2
InChIKeyYAGXMYYDAWCUAL-UHFFFAOYSA-N
XLogP2.65
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.27
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-N-(2-fluorophenyl)cyclohexane-1,3-diamine
CID 79458440
1-N-(4-bromo-2,6-difluorophenyl)cyclohexane-1,3-diamine
CID 79458131
1-N-(3-fluoro-2-methylphenyl)cyclohexane-1,3-diamine
CID 79458310
N-(2,6-difluorophenyl)cycloheptanamine
CID 28974538
1-N-(5-chloro-2-fluorophenyl)cyclohexane-1,3-diamine
CID 79459416
1-N-(2,6-difluorophenyl)cyclopentane-1,2-diamine
CID 102571496
3-N-(2,6-difluoro-3-methylphenyl)cyclopentane-1,3-diamine
CID 82818304
N-(2,6-difluorophenyl)oxepan-4-amine
CID 65077164
N-(2,6-difluorophenyl)-4-propylcycloheptan-1-amine
CID 65086344
1-N-(4-bromo-2-fluorophenyl)cyclohexane-1,3-diamine
CID 79459495
1-N-(3-fluoro-4-methylphenyl)cyclohexane-1,3-diamine
CID 79459008
1-N-(2-chloro-5-fluoropyrimidin-4-yl)cyclohexane-1,3-diamine
CID 88544926

Frequently Asked Questions

What is the IUPAC name of 1-N-(2,6-difluorophenyl)cyclohexane-1,3-diamine?
The IUPAC name of 1-N-(2,6-difluorophenyl)cyclohexane-1,3-diamine (CID 79458634) is 1-N-(2,6-difluorophenyl)cyclohexane-1,3-diamine.
What is the SMILES notation for 1-N-(2,6-difluorophenyl)cyclohexane-1,3-diamine?
The canonical SMILES for 1-N-(2,6-difluorophenyl)cyclohexane-1,3-diamine is NC1CCCC(Nc2c(F)cccc2F)C1.
What is the InChIKey of 1-N-(2,6-difluorophenyl)cyclohexane-1,3-diamine?
The InChIKey is YAGXMYYDAWCUAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F2N2/c13-10-5-2-6-11(14)12(10)16-9-4-1-3-8(15)7-9/h2,5-6,8-9,16H,1,3-4,7,15H2.
What are the key properties of 1-N-(2,6-difluorophenyl)cyclohexane-1,3-diamine?
1-N-(2,6-difluorophenyl)cyclohexane-1,3-diamine has a molecular weight of 226.27 g/mol, XLogP of 2.65, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(2,6-difluorophenyl)cyclohexane-1,3-diamine is sourced from PubChem (CID 79458634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).