1-(difluoromethyl)-2,2-difluorocyclohexan-1-amine

C7H11F4N — CID 167721400

IUPAC1-(difluoromethyl)-2,2-difluorocyclohexan-1-amine
SMILESNC1(C(F)F)CCCCC1(F)F
InChIInChI=1S/C7H11F4N/c8-5(9)6(12)3-1-2-4-7(6,10)11/h5H,1-4,12H2
InChIKeyKJRZEEWGNIDXCZ-UHFFFAOYSA-N
MW185.16 g/mol
LogP2.16
Rot. Bonds1

About 1-(difluoromethyl)-2,2-difluorocyclohexan-1-amine

1-(difluoromethyl)-2,2-difluorocyclohexan-1-amine (PubChem CID 167721400) has the molecular formula C7H11F4N and a molecular weight of 185.16 g/mol. Its IUPAC name is 1-(difluoromethyl)-2,2-difluorocyclohexan-1-amine.

Molecular Properties

Compound Name1-(difluoromethyl)-2,2-difluorocyclohexan-1-amine
PubChem CID167721400
Molecular FormulaC7H11F4N
Molecular Weight185.16 g/mol
Exact Mass185.08
IUPAC Name1-(difluoromethyl)-2,2-difluorocyclohexan-1-amine
SMILESNC1(C(F)F)CCCCC1(F)F
InChIInChI=1S/C7H11F4N/c8-5(9)6(12)3-1-2-4-7(6,10)11/h5H,1-4,12H2
InChIKeyKJRZEEWGNIDXCZ-UHFFFAOYSA-N
XLogP2.16
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.16
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethyl)-2,2-difluorocyclohexan-1-amine?
The IUPAC name of 1-(difluoromethyl)-2,2-difluorocyclohexan-1-amine (CID 167721400) is 1-(difluoromethyl)-2,2-difluorocyclohexan-1-amine.
What is the SMILES notation for 1-(difluoromethyl)-2,2-difluorocyclohexan-1-amine?
The canonical SMILES for 1-(difluoromethyl)-2,2-difluorocyclohexan-1-amine is NC1(C(F)F)CCCCC1(F)F.
What is the InChIKey of 1-(difluoromethyl)-2,2-difluorocyclohexan-1-amine?
The InChIKey is KJRZEEWGNIDXCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F4N/c8-5(9)6(12)3-1-2-4-7(6,10)11/h5H,1-4,12H2.
What are the key properties of 1-(difluoromethyl)-2,2-difluorocyclohexan-1-amine?
1-(difluoromethyl)-2,2-difluorocyclohexan-1-amine has a molecular weight of 185.16 g/mol, XLogP of 2.16, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethyl)-2,2-difluorocyclohexan-1-amine is sourced from PubChem (CID 167721400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).