(4S)-1,1-difluoro-6,6-dimethylhept-1-en-4-amine

C9H17F2N — CID 122693960

IUPAC(4S)-1,1-difluoro-6,6-dimethylhept-1-en-4-amine
SMILESCC(C)(C)C[C@@H](N)CC=C(F)F
InChIInChI=1S/C9H17F2N/c1-9(2,3)6-7(12)4-5-8(10)11/h5,7H,4,6,12H2,1-3H3/t7-/m0/s1
InChIKeyRZSAPYYIKQJPGL-ZETCQYMHSA-N
MW177.24 g/mol
LogP2.92
Rot. Bonds3

About (4S)-1,1-difluoro-6,6-dimethylhept-1-en-4-amine

(4S)-1,1-difluoro-6,6-dimethylhept-1-en-4-amine (PubChem CID 122693960) has the molecular formula C9H17F2N and a molecular weight of 177.24 g/mol. Its IUPAC name is (4S)-1,1-difluoro-6,6-dimethylhept-1-en-4-amine.

Molecular Properties

Compound Name(4S)-1,1-difluoro-6,6-dimethylhept-1-en-4-amine
PubChem CID122693960
Molecular FormulaC9H17F2N
Molecular Weight177.24 g/mol
Exact Mass177.13
IUPAC Name(4S)-1,1-difluoro-6,6-dimethylhept-1-en-4-amine
SMILESCC(C)(C)C[C@@H](N)CC=C(F)F
InChIInChI=1S/C9H17F2N/c1-9(2,3)6-7(12)4-5-8(10)11/h5,7H,4,6,12H2,1-3H3/t7-/m0/s1
InChIKeyRZSAPYYIKQJPGL-ZETCQYMHSA-N
XLogP2.92
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.24
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (4S)-1,1-difluoro-6,6-dimethylhept-1-en-4-amine?
The IUPAC name of (4S)-1,1-difluoro-6,6-dimethylhept-1-en-4-amine (CID 122693960) is (4S)-1,1-difluoro-6,6-dimethylhept-1-en-4-amine.
What is the SMILES notation for (4S)-1,1-difluoro-6,6-dimethylhept-1-en-4-amine?
The canonical SMILES for (4S)-1,1-difluoro-6,6-dimethylhept-1-en-4-amine is CC(C)(C)C[C@@H](N)CC=C(F)F.
What is the InChIKey of (4S)-1,1-difluoro-6,6-dimethylhept-1-en-4-amine?
The InChIKey is RZSAPYYIKQJPGL-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H17F2N/c1-9(2,3)6-7(12)4-5-8(10)11/h5,7H,4,6,12H2,1-3H3/t7-/m0/s1.
What are the key properties of (4S)-1,1-difluoro-6,6-dimethylhept-1-en-4-amine?
(4S)-1,1-difluoro-6,6-dimethylhept-1-en-4-amine has a molecular weight of 177.24 g/mol, XLogP of 2.92, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-1,1-difluoro-6,6-dimethylhept-1-en-4-amine is sourced from PubChem (CID 122693960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).