(4R)-4-(trifluoromethyl)azepane

C7H12F3N — CID 95003247

IUPAC(4R)-4-(trifluoromethyl)azepane
SMILESFC(F)(F)[C@@H]1CCCNCC1
InChIInChI=1S/C7H12F3N/c8-7(9,10)6-2-1-4-11-5-3-6/h6,11H,1-5H2/t6-/m1/s1
InChIKeyBMAQMERQLYXYPV-ZCFIWIBFSA-N
MW167.17 g/mol
LogP1.94
Rot. Bonds

About (4R)-4-(trifluoromethyl)azepane

(4R)-4-(trifluoromethyl)azepane (PubChem CID 95003247) has the molecular formula C7H12F3N and a molecular weight of 167.17 g/mol. Its IUPAC name is (4R)-4-(trifluoromethyl)azepane.

Molecular Properties

Compound Name(4R)-4-(trifluoromethyl)azepane
PubChem CID95003247
Molecular FormulaC7H12F3N
Molecular Weight167.17 g/mol
Exact Mass167.09
IUPAC Name(4R)-4-(trifluoromethyl)azepane
SMILESFC(F)(F)[C@@H]1CCCNCC1
InChIInChI=1S/C7H12F3N/c8-7(9,10)6-2-1-4-11-5-3-6/h6,11H,1-5H2/t6-/m1/s1
InChIKeyBMAQMERQLYXYPV-ZCFIWIBFSA-N
XLogP1.94
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.17
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-(trifluoromethyl)azepane?
The IUPAC name of (4R)-4-(trifluoromethyl)azepane (CID 95003247) is (4R)-4-(trifluoromethyl)azepane.
What is the SMILES notation for (4R)-4-(trifluoromethyl)azepane?
The canonical SMILES for (4R)-4-(trifluoromethyl)azepane is FC(F)(F)[C@@H]1CCCNCC1.
What is the InChIKey of (4R)-4-(trifluoromethyl)azepane?
The InChIKey is BMAQMERQLYXYPV-ZCFIWIBFSA-N. The full InChI is InChI=1S/C7H12F3N/c8-7(9,10)6-2-1-4-11-5-3-6/h6,11H,1-5H2/t6-/m1/s1.
What are the key properties of (4R)-4-(trifluoromethyl)azepane?
(4R)-4-(trifluoromethyl)azepane has a molecular weight of 167.17 g/mol, XLogP of 1.94, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-(trifluoromethyl)azepane is sourced from PubChem (CID 95003247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).