(1R,4S)-3,4-difluorocyclohex-2-en-1-amine

C6H9F2N — CID 89073713

IUPAC(1R,4S)-3,4-difluorocyclohex-2-en-1-amine
SMILESN[C@H]1C=C(F)[C@@H](F)CC1
InChIInChI=1S/C6H9F2N/c7-5-2-1-4(9)3-6(5)8/h3-5H,1-2,9H2/t4-,5+/m1/s1
InChIKeyXMKKJQNYSSBIEH-UHNVWZDZSA-N
MW133.14 g/mol
LogP1.30
Rot. Bonds

About (1R,4S)-3,4-difluorocyclohex-2-en-1-amine

(1R,4S)-3,4-difluorocyclohex-2-en-1-amine (PubChem CID 89073713) has the molecular formula C6H9F2N and a molecular weight of 133.14 g/mol. Its IUPAC name is (1R,4S)-3,4-difluorocyclohex-2-en-1-amine.

Molecular Properties

Compound Name(1R,4S)-3,4-difluorocyclohex-2-en-1-amine
PubChem CID89073713
Molecular FormulaC6H9F2N
Molecular Weight133.14 g/mol
Exact Mass133.07
IUPAC Name(1R,4S)-3,4-difluorocyclohex-2-en-1-amine
SMILESN[C@H]1C=C(F)[C@@H](F)CC1
InChIInChI=1S/C6H9F2N/c7-5-2-1-4(9)3-6(5)8/h3-5H,1-2,9H2/t4-,5+/m1/s1
InChIKeyXMKKJQNYSSBIEH-UHNVWZDZSA-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 (1R,4S)-3,4-difluorocyclohex-2-en-1-amine?
The IUPAC name of (1R,4S)-3,4-difluorocyclohex-2-en-1-amine (CID 89073713) is (1R,4S)-3,4-difluorocyclohex-2-en-1-amine.
What is the SMILES notation for (1R,4S)-3,4-difluorocyclohex-2-en-1-amine?
The canonical SMILES for (1R,4S)-3,4-difluorocyclohex-2-en-1-amine is N[C@H]1C=C(F)[C@@H](F)CC1.
What is the InChIKey of (1R,4S)-3,4-difluorocyclohex-2-en-1-amine?
The InChIKey is XMKKJQNYSSBIEH-UHNVWZDZSA-N. The full InChI is InChI=1S/C6H9F2N/c7-5-2-1-4(9)3-6(5)8/h3-5H,1-2,9H2/t4-,5+/m1/s1.
What are the key properties of (1R,4S)-3,4-difluorocyclohex-2-en-1-amine?
(1R,4S)-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 (1R,4S)-3,4-difluorocyclohex-2-en-1-amine is sourced from PubChem (CID 89073713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).