(4S)-7,7,7-trifluorohept-1-en-4-amine

C7H12F3N — CID 163278466

IUPAC(4S)-7,7,7-trifluorohept-1-en-4-amine
SMILESC=CC[C@@H](N)CCC(F)(F)F
InChIInChI=1S/C7H12F3N/c1-2-3-6(11)4-5-7(8,9)10/h2,6H,1,3-5,11H2/t6-/m1/s1
InChIKeyXWKPCTRYRLFQCU-ZCFIWIBFSA-N
MW167.17 g/mol
LogP2.23
Rot. Bonds4

About (4S)-7,7,7-trifluorohept-1-en-4-amine

(4S)-7,7,7-trifluorohept-1-en-4-amine (PubChem CID 163278466) has the molecular formula C7H12F3N and a molecular weight of 167.17 g/mol. Its IUPAC name is (4S)-7,7,7-trifluorohept-1-en-4-amine.

Molecular Properties

Compound Name(4S)-7,7,7-trifluorohept-1-en-4-amine
PubChem CID163278466
Molecular FormulaC7H12F3N
Molecular Weight167.17 g/mol
Exact Mass167.09
IUPAC Name(4S)-7,7,7-trifluorohept-1-en-4-amine
SMILESC=CC[C@@H](N)CCC(F)(F)F
InChIInChI=1S/C7H12F3N/c1-2-3-6(11)4-5-7(8,9)10/h2,6H,1,3-5,11H2/t6-/m1/s1
InChIKeyXWKPCTRYRLFQCU-ZCFIWIBFSA-N
XLogP2.23
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.17
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4S)-7,7,7-trifluorohept-1-en-4-amine?
The IUPAC name of (4S)-7,7,7-trifluorohept-1-en-4-amine (CID 163278466) is (4S)-7,7,7-trifluorohept-1-en-4-amine.
What is the SMILES notation for (4S)-7,7,7-trifluorohept-1-en-4-amine?
The canonical SMILES for (4S)-7,7,7-trifluorohept-1-en-4-amine is C=CC[C@@H](N)CCC(F)(F)F.
What is the InChIKey of (4S)-7,7,7-trifluorohept-1-en-4-amine?
The InChIKey is XWKPCTRYRLFQCU-ZCFIWIBFSA-N. The full InChI is InChI=1S/C7H12F3N/c1-2-3-6(11)4-5-7(8,9)10/h2,6H,1,3-5,11H2/t6-/m1/s1.
What are the key properties of (4S)-7,7,7-trifluorohept-1-en-4-amine?
(4S)-7,7,7-trifluorohept-1-en-4-amine has a molecular weight of 167.17 g/mol, XLogP of 2.23, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-7,7,7-trifluorohept-1-en-4-amine is sourced from PubChem (CID 163278466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).