4,4-difluorocyclohexan-1-amine

C6H11F2N — CID 3847030

IUPAC4,4-difluorocyclohexan-1-amine
SMILESNC1CCC(F)(F)CC1
InChIInChI=1S/C6H11F2N/c7-6(8)3-1-5(9)2-4-6/h5H,1-4,9H2
InChIKeyMQOFXVWAFFJFJH-UHFFFAOYSA-N
MW135.16 g/mol
LogP1.52
Rot. Bonds

About 4,4-difluorocyclohexan-1-amine

4,4-difluorocyclohexan-1-amine (PubChem CID 3847030) has the molecular formula C6H11F2N and a molecular weight of 135.16 g/mol. Its IUPAC name is 4,4-difluorocyclohexan-1-amine.

Molecular Properties

Compound Name4,4-difluorocyclohexan-1-amine
PubChem CID3847030
Molecular FormulaC6H11F2N
Molecular Weight135.16 g/mol
Exact Mass135.09
IUPAC Name4,4-difluorocyclohexan-1-amine
SMILESNC1CCC(F)(F)CC1
InChIInChI=1S/C6H11F2N/c7-6(8)3-1-5(9)2-4-6/h5H,1-4,9H2
InChIKeyMQOFXVWAFFJFJH-UHFFFAOYSA-N
XLogP1.52
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.16
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4,4-difluorocyclohexan-1-amine?
The IUPAC name of 4,4-difluorocyclohexan-1-amine (CID 3847030) is 4,4-difluorocyclohexan-1-amine.
What is the SMILES notation for 4,4-difluorocyclohexan-1-amine?
The canonical SMILES for 4,4-difluorocyclohexan-1-amine is NC1CCC(F)(F)CC1.
What is the InChIKey of 4,4-difluorocyclohexan-1-amine?
The InChIKey is MQOFXVWAFFJFJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11F2N/c7-6(8)3-1-5(9)2-4-6/h5H,1-4,9H2.
What are the key properties of 4,4-difluorocyclohexan-1-amine?
4,4-difluorocyclohexan-1-amine has a molecular weight of 135.16 g/mol, XLogP of 1.52, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-difluorocyclohexan-1-amine is sourced from PubChem (CID 3847030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).