1-N-(2,2-difluorocyclohexyl)propane-1,2-diamine

C9H18F2N2 — CID 131014891

IUPAC1-N-(2,2-difluorocyclohexyl)propane-1,2-diamine
SMILESCC(N)CNC1CCCCC1(F)F
InChIInChI=1S/C9H18F2N2/c1-7(12)6-13-8-4-2-3-5-9(8,10)11/h7-8,13H,2-6,12H2,1H3
InChIKeyZSDFXJQFWKRZJJ-UHFFFAOYSA-N
MW192.25 g/mol
LogP1.50
Rot. Bonds3

About 1-N-(2,2-difluorocyclohexyl)propane-1,2-diamine

1-N-(2,2-difluorocyclohexyl)propane-1,2-diamine (PubChem CID 131014891) has the molecular formula C9H18F2N2 and a molecular weight of 192.25 g/mol. Its IUPAC name is 1-N-(2,2-difluorocyclohexyl)propane-1,2-diamine.

Molecular Properties

Compound Name1-N-(2,2-difluorocyclohexyl)propane-1,2-diamine
PubChem CID131014891
Molecular FormulaC9H18F2N2
Molecular Weight192.25 g/mol
Exact Mass192.14
IUPAC Name1-N-(2,2-difluorocyclohexyl)propane-1,2-diamine
SMILESCC(N)CNC1CCCCC1(F)F
InChIInChI=1S/C9H18F2N2/c1-7(12)6-13-8-4-2-3-5-9(8,10)11/h7-8,13H,2-6,12H2,1H3
InChIKeyZSDFXJQFWKRZJJ-UHFFFAOYSA-N
XLogP1.50
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.25
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-Cyclohexyl-1,2-ethanediamine
CID 21922
trans-N,N'-dimethyl-1,2-cyclohexanediamine
CID 2733821
1-N,2-N-dimethylcyclohexane-1,2-diamine
CID 551074
(1S,2S)-(+)-N,N'-Dimethylcyclohexane-1,2-diamine
CID 13822957
N-(2-aminoethyl)-N-methylcyclohexanamine
CID 7138281
N,N'-Diisopropylcyclohexane-1,2-diamine
CID 469934
rac-(1R,2S)-N1,N2-dimethylcyclohexane-1,2-diamine
CID 7020757
N-(2-aminoethyl)-N-ethylcyclohexanamine
CID 16785181
4,4-difluoro-N-methylcyclohexan-1-amine
CID 22224996
6-(Trifluoromethyl)piperidin-3-amine
CID 42628739
1-(4,4-Difluorocyclohexyl)piperazine
CID 130949503
Pentane, 2,2,3,3,4,4-hexafluoro-1,5-bisisopropylamino-
CID 101055996

Frequently Asked Questions

What is the IUPAC name of 1-N-(2,2-difluorocyclohexyl)propane-1,2-diamine?
The IUPAC name of 1-N-(2,2-difluorocyclohexyl)propane-1,2-diamine (CID 131014891) is 1-N-(2,2-difluorocyclohexyl)propane-1,2-diamine.
What is the SMILES notation for 1-N-(2,2-difluorocyclohexyl)propane-1,2-diamine?
The canonical SMILES for 1-N-(2,2-difluorocyclohexyl)propane-1,2-diamine is CC(N)CNC1CCCCC1(F)F.
What is the InChIKey of 1-N-(2,2-difluorocyclohexyl)propane-1,2-diamine?
The InChIKey is ZSDFXJQFWKRZJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18F2N2/c1-7(12)6-13-8-4-2-3-5-9(8,10)11/h7-8,13H,2-6,12H2,1H3.
What are the key properties of 1-N-(2,2-difluorocyclohexyl)propane-1,2-diamine?
1-N-(2,2-difluorocyclohexyl)propane-1,2-diamine has a molecular weight of 192.25 g/mol, XLogP of 1.50, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(2,2-difluorocyclohexyl)propane-1,2-diamine is sourced from PubChem (CID 131014891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).