1-N-(2,2-difluoroethyl)cyclohexane-1,3-diamine

C8H16F2N2 — CID 115406071

IUPAC1-N-(2,2-difluoroethyl)cyclohexane-1,3-diamine
SMILESNC1CCCC(NCC(F)F)C1
InChIInChI=1S/C8H16F2N2/c9-8(10)5-12-7-3-1-2-6(11)4-7/h6-8,12H,1-5,11H2
InChIKeyKTSMGTGKVSNMFP-UHFFFAOYSA-N
MW178.23 g/mol
LogP1.11
Rot. Bonds3

About 1-N-(2,2-difluoroethyl)cyclohexane-1,3-diamine

1-N-(2,2-difluoroethyl)cyclohexane-1,3-diamine (PubChem CID 115406071) has the molecular formula C8H16F2N2 and a molecular weight of 178.23 g/mol. Its IUPAC name is 1-N-(2,2-difluoroethyl)cyclohexane-1,3-diamine.

Molecular Properties

Compound Name1-N-(2,2-difluoroethyl)cyclohexane-1,3-diamine
PubChem CID115406071
Molecular FormulaC8H16F2N2
Molecular Weight178.23 g/mol
Exact Mass178.13
IUPAC Name1-N-(2,2-difluoroethyl)cyclohexane-1,3-diamine
SMILESNC1CCCC(NCC(F)F)C1
InChIInChI=1S/C8H16F2N2/c9-8(10)5-12-7-3-1-2-6(11)4-7/h6-8,12H,1-5,11H2
InChIKeyKTSMGTGKVSNMFP-UHFFFAOYSA-N
XLogP1.11
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-N-(2,2-difluoroethyl)cyclohexane-1,3-diamine?
The IUPAC name of 1-N-(2,2-difluoroethyl)cyclohexane-1,3-diamine (CID 115406071) is 1-N-(2,2-difluoroethyl)cyclohexane-1,3-diamine.
What is the SMILES notation for 1-N-(2,2-difluoroethyl)cyclohexane-1,3-diamine?
The canonical SMILES for 1-N-(2,2-difluoroethyl)cyclohexane-1,3-diamine is NC1CCCC(NCC(F)F)C1.
What is the InChIKey of 1-N-(2,2-difluoroethyl)cyclohexane-1,3-diamine?
The InChIKey is KTSMGTGKVSNMFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16F2N2/c9-8(10)5-12-7-3-1-2-6(11)4-7/h6-8,12H,1-5,11H2.
What are the key properties of 1-N-(2,2-difluoroethyl)cyclohexane-1,3-diamine?
1-N-(2,2-difluoroethyl)cyclohexane-1,3-diamine has a molecular weight of 178.23 g/mol, XLogP of 1.11, 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-difluoroethyl)cyclohexane-1,3-diamine is sourced from PubChem (CID 115406071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).