(5S)-4,4,5-trifluoroazepane

C6H10F3N — CID 124556119

IUPAC(5S)-4,4,5-trifluoroazepane
SMILESF[C@H]1CCNCCC1(F)F
InChIInChI=1S/C6H10F3N/c7-5-1-3-10-4-2-6(5,8)9/h5,10H,1-4H2/t5-/m0/s1
InChIKeyGCOKDTWCUXXFFE-YFKPBYRVSA-N
MW153.15 g/mol
LogP1.34
Rot. Bonds

About (5S)-4,4,5-trifluoroazepane

(5S)-4,4,5-trifluoroazepane (PubChem CID 124556119) has the molecular formula C6H10F3N and a molecular weight of 153.15 g/mol. Its IUPAC name is (5S)-4,4,5-trifluoroazepane.

Molecular Properties

Compound Name(5S)-4,4,5-trifluoroazepane
PubChem CID124556119
Molecular FormulaC6H10F3N
Molecular Weight153.15 g/mol
Exact Mass153.08
IUPAC Name(5S)-4,4,5-trifluoroazepane
SMILESF[C@H]1CCNCCC1(F)F
InChIInChI=1S/C6H10F3N/c7-5-1-3-10-4-2-6(5,8)9/h5,10H,1-4H2/t5-/m0/s1
InChIKeyGCOKDTWCUXXFFE-YFKPBYRVSA-N
XLogP1.34
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.15
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (5S)-4,4,5-trifluoroazepane?
The IUPAC name of (5S)-4,4,5-trifluoroazepane (CID 124556119) is (5S)-4,4,5-trifluoroazepane.
What is the SMILES notation for (5S)-4,4,5-trifluoroazepane?
The canonical SMILES for (5S)-4,4,5-trifluoroazepane is F[C@H]1CCNCCC1(F)F.
What is the InChIKey of (5S)-4,4,5-trifluoroazepane?
The InChIKey is GCOKDTWCUXXFFE-YFKPBYRVSA-N. The full InChI is InChI=1S/C6H10F3N/c7-5-1-3-10-4-2-6(5,8)9/h5,10H,1-4H2/t5-/m0/s1.
What are the key properties of (5S)-4,4,5-trifluoroazepane?
(5S)-4,4,5-trifluoroazepane has a molecular weight of 153.15 g/mol, XLogP of 1.34, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-4,4,5-trifluoroazepane is sourced from PubChem (CID 124556119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).