3-(1,1-difluoropropyl)-2-methylcyclohexan-1-amine

C10H19F2N — CID 142080221

IUPAC3-(1,1-difluoropropyl)-2-methylcyclohexan-1-amine
SMILESCCC(F)(F)C1CCCC(N)C1C
InChIInChI=1S/C10H19F2N/c1-3-10(11,12)8-5-4-6-9(13)7(8)2/h7-9H,3-6,13H2,1-2H3
InChIKeyJUTZUFGEIPMVTQ-UHFFFAOYSA-N
MW191.26 g/mol
LogP2.80
Rot. Bonds2

About 3-(1,1-difluoropropyl)-2-methylcyclohexan-1-amine

3-(1,1-difluoropropyl)-2-methylcyclohexan-1-amine (PubChem CID 142080221) has the molecular formula C10H19F2N and a molecular weight of 191.26 g/mol. Its IUPAC name is 3-(1,1-difluoropropyl)-2-methylcyclohexan-1-amine.

Molecular Properties

Compound Name3-(1,1-difluoropropyl)-2-methylcyclohexan-1-amine
PubChem CID142080221
Molecular FormulaC10H19F2N
Molecular Weight191.26 g/mol
Exact Mass191.15
IUPAC Name3-(1,1-difluoropropyl)-2-methylcyclohexan-1-amine
SMILESCCC(F)(F)C1CCCC(N)C1C
InChIInChI=1S/C10H19F2N/c1-3-10(11,12)8-5-4-6-9(13)7(8)2/h7-9H,3-6,13H2,1-2H3
InChIKeyJUTZUFGEIPMVTQ-UHFFFAOYSA-N
XLogP2.80
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.26
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(1,1-difluoropropyl)-2-methylcyclohexan-1-amine?
The IUPAC name of 3-(1,1-difluoropropyl)-2-methylcyclohexan-1-amine (CID 142080221) is 3-(1,1-difluoropropyl)-2-methylcyclohexan-1-amine.
What is the SMILES notation for 3-(1,1-difluoropropyl)-2-methylcyclohexan-1-amine?
The canonical SMILES for 3-(1,1-difluoropropyl)-2-methylcyclohexan-1-amine is CCC(F)(F)C1CCCC(N)C1C.
What is the InChIKey of 3-(1,1-difluoropropyl)-2-methylcyclohexan-1-amine?
The InChIKey is JUTZUFGEIPMVTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F2N/c1-3-10(11,12)8-5-4-6-9(13)7(8)2/h7-9H,3-6,13H2,1-2H3.
What are the key properties of 3-(1,1-difluoropropyl)-2-methylcyclohexan-1-amine?
3-(1,1-difluoropropyl)-2-methylcyclohexan-1-amine has a molecular weight of 191.26 g/mol, XLogP of 2.80, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,1-difluoropropyl)-2-methylcyclohexan-1-amine is sourced from PubChem (CID 142080221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).