3,4-difluorocyclohex-2-en-1-amine

C6H9F2N — CID 89153992

IUPAC3,4-difluorocyclohex-2-en-1-amine
SMILESNC1C=C(F)C(F)CC1
InChIInChI=1S/C6H9F2N/c7-5-2-1-4(9)3-6(5)8/h3-5H,1-2,9H2
InChIKeyXMKKJQNYSSBIEH-UHFFFAOYSA-N
MW133.14 g/mol
LogP1.30
Rot. Bonds

About 3,4-difluorocyclohex-2-en-1-amine

3,4-difluorocyclohex-2-en-1-amine (PubChem CID 89153992) has the molecular formula C6H9F2N and a molecular weight of 133.14 g/mol. Its IUPAC name is 3,4-difluorocyclohex-2-en-1-amine.

Molecular Properties

Compound Name3,4-difluorocyclohex-2-en-1-amine
PubChem CID89153992
Molecular FormulaC6H9F2N
Molecular Weight133.14 g/mol
Exact Mass133.07
IUPAC Name3,4-difluorocyclohex-2-en-1-amine
SMILESNC1C=C(F)C(F)CC1
InChIInChI=1S/C6H9F2N/c7-5-2-1-4(9)3-6(5)8/h3-5H,1-2,9H2
InChIKeyXMKKJQNYSSBIEH-UHFFFAOYSA-N
XLogP1.30
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.14
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,4-difluorocyclohex-2-en-1-amine?
The IUPAC name of 3,4-difluorocyclohex-2-en-1-amine (CID 89153992) is 3,4-difluorocyclohex-2-en-1-amine.
What is the SMILES notation for 3,4-difluorocyclohex-2-en-1-amine?
The canonical SMILES for 3,4-difluorocyclohex-2-en-1-amine is NC1C=C(F)C(F)CC1.
What is the InChIKey of 3,4-difluorocyclohex-2-en-1-amine?
The InChIKey is XMKKJQNYSSBIEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9F2N/c7-5-2-1-4(9)3-6(5)8/h3-5H,1-2,9H2.
What are the key properties of 3,4-difluorocyclohex-2-en-1-amine?
3,4-difluorocyclohex-2-en-1-amine has a molecular weight of 133.14 g/mol, XLogP of 1.30, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-difluorocyclohex-2-en-1-amine is sourced from PubChem (CID 89153992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).