4,4-difluoro-N-methylcyclohexan-1-amine

C7H13F2N — CID 22224996

IUPAC4,4-difluoro-N-methylcyclohexan-1-amine
SMILESCNC1CCC(F)(F)CC1
InChIInChI=1S/C7H13F2N/c1-10-6-2-4-7(8,9)5-3-6/h6,10H,2-5H2,1H3
InChIKeyOSANBTAPUQLBDN-UHFFFAOYSA-N
MW149.18 g/mol
LogP1.78
Rot. Bonds1

About 4,4-difluoro-N-methylcyclohexan-1-amine

4,4-difluoro-N-methylcyclohexan-1-amine (PubChem CID 22224996) has the molecular formula C7H13F2N and a molecular weight of 149.18 g/mol. Its IUPAC name is 4,4-difluoro-N-methylcyclohexan-1-amine.

Molecular Properties

Compound Name4,4-difluoro-N-methylcyclohexan-1-amine
PubChem CID22224996
Molecular FormulaC7H13F2N
Molecular Weight149.18 g/mol
Exact Mass149.10
IUPAC Name4,4-difluoro-N-methylcyclohexan-1-amine
SMILESCNC1CCC(F)(F)CC1
InChIInChI=1S/C7H13F2N/c1-10-6-2-4-7(8,9)5-3-6/h6,10H,2-5H2,1H3
InChIKeyOSANBTAPUQLBDN-UHFFFAOYSA-N
XLogP1.78
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.18
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4,4-difluoro-N-methylcyclohexan-1-amine?
The IUPAC name of 4,4-difluoro-N-methylcyclohexan-1-amine (CID 22224996) is 4,4-difluoro-N-methylcyclohexan-1-amine.
What is the SMILES notation for 4,4-difluoro-N-methylcyclohexan-1-amine?
The canonical SMILES for 4,4-difluoro-N-methylcyclohexan-1-amine is CNC1CCC(F)(F)CC1.
What is the InChIKey of 4,4-difluoro-N-methylcyclohexan-1-amine?
The InChIKey is OSANBTAPUQLBDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F2N/c1-10-6-2-4-7(8,9)5-3-6/h6,10H,2-5H2,1H3.
What are the key properties of 4,4-difluoro-N-methylcyclohexan-1-amine?
4,4-difluoro-N-methylcyclohexan-1-amine has a molecular weight of 149.18 g/mol, XLogP of 1.78, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-difluoro-N-methylcyclohexan-1-amine is sourced from PubChem (CID 22224996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).