(4Z)-4-(4,4,4-trifluorobutylidene)azepane

C10H16F3N — CID 103983649

IUPAC(4Z)-4-(4,4,4-trifluorobutylidene)azepane
SMILESFC(F)(F)CC/C=C1/CCCNCC1
InChIInChI=1S/C10H16F3N/c11-10(12,13)6-1-3-9-4-2-7-14-8-5-9/h3,14H,1-2,4-8H2/b9-3-
InChIKeyCZWMZNCHISWKBP-OQFOIZHKSA-N
MW207.24 g/mol
LogP3.03
Rot. Bonds2

About (4Z)-4-(4,4,4-trifluorobutylidene)azepane

(4Z)-4-(4,4,4-trifluorobutylidene)azepane (PubChem CID 103983649) has the molecular formula C10H16F3N and a molecular weight of 207.24 g/mol. Its IUPAC name is (4Z)-4-(4,4,4-trifluorobutylidene)azepane.

Molecular Properties

Compound Name(4Z)-4-(4,4,4-trifluorobutylidene)azepane
PubChem CID103983649
Molecular FormulaC10H16F3N
Molecular Weight207.24 g/mol
Exact Mass207.12
IUPAC Name(4Z)-4-(4,4,4-trifluorobutylidene)azepane
SMILESFC(F)(F)CC/C=C1/CCCNCC1
InChIInChI=1S/C10H16F3N/c11-10(12,13)6-1-3-9-4-2-7-14-8-5-9/h3,14H,1-2,4-8H2/b9-3-
InChIKeyCZWMZNCHISWKBP-OQFOIZHKSA-N
XLogP3.03
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.24
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (4Z)-4-(4,4,4-trifluorobutylidene)azepane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2Z)-2-ethylidene-5,5-difluoro-N-methylhexan-1-amine
CID 146536778
(2R)-2-(difluoromethyl)-5-methyl-2,3,4,7-tetrahydro-1H-azepine
CID 169699458
2-(difluoromethyl)-5-methyl-2,3,4,7-tetrahydro-1H-azepine
CID 169699487
(2S)-2-(difluoromethyl)-5-methyl-2,3,4,7-tetrahydro-1H-azepine
CID 169699489
(E)-3-ethyl-N-(2,2,2-trifluoroethyl)pent-3-en-1-amine
CID 170259421
(E)-3-ethyl-N-(2,2,2-trifluoroethyl)hex-3-en-1-amine
CID 170260476
N-[2-(cyclohexen-1-yl)ethyl]-3,3,3-trifluoropropan-1-amine
CID 60694945
N-[2-(cyclohexen-1-yl)ethyl]-2,2-difluoroethanamine
CID 62326172
N-[2-(cyclohexen-1-yl)ethyl]-2,2,2-trifluoroethanamine
CID 62326351
1-(cyclohepten-1-yl)-N-ethyl-4,4,4-trifluorobutan-1-amine
CID 65711338
N-ethyl-7,7,7-trifluoro-4-methylhept-3-en-1-amine
CID 79598070
7,7,7-trifluoro-4-methyl-N-propylhept-3-en-1-amine
CID 79598859

Frequently Asked Questions

What is the IUPAC name of (4Z)-4-(4,4,4-trifluorobutylidene)azepane?
The IUPAC name of (4Z)-4-(4,4,4-trifluorobutylidene)azepane (CID 103983649) is (4Z)-4-(4,4,4-trifluorobutylidene)azepane.
What is the SMILES notation for (4Z)-4-(4,4,4-trifluorobutylidene)azepane?
The canonical SMILES for (4Z)-4-(4,4,4-trifluorobutylidene)azepane is FC(F)(F)CC/C=C1/CCCNCC1.
What is the InChIKey of (4Z)-4-(4,4,4-trifluorobutylidene)azepane?
The InChIKey is CZWMZNCHISWKBP-OQFOIZHKSA-N. The full InChI is InChI=1S/C10H16F3N/c11-10(12,13)6-1-3-9-4-2-7-14-8-5-9/h3,14H,1-2,4-8H2/b9-3-.
What are the key properties of (4Z)-4-(4,4,4-trifluorobutylidene)azepane?
(4Z)-4-(4,4,4-trifluorobutylidene)azepane has a molecular weight of 207.24 g/mol, XLogP of 3.03, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-4-(4,4,4-trifluorobutylidene)azepane is sourced from PubChem (CID 103983649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).