ethane;(E,2E)-3-fluoro-2-(1-fluoropropylidene)hept-3-en-1-amine

C14H29F2N — CID 143299688

IUPACethane;(E,2E)-3-fluoro-2-(1-fluoropropylidene)hept-3-en-1-amine
SMILESCC.CC.CCC/C=C(F)\C(CN)=C(\F)CC
InChIInChI=1S/C10H17F2N.2C2H6/c1-3-5-6-10(12)8(7-13)9(11)4-2;2*1-2/h6H,3-5,7,13H2,1-2H3;2*1-2H3/b9-8+,10-6+;;
InChIKeyCIGMUUZKATVOAX-BCOAGSNSSA-N
MW249.39 g/mol
LogP5.28
Rot. Bonds5

About ethane;(E,2E)-3-fluoro-2-(1-fluoropropylidene)hept-3-en-1-amine

ethane;(E,2E)-3-fluoro-2-(1-fluoropropylidene)hept-3-en-1-amine (PubChem CID 143299688) has the molecular formula C14H29F2N and a molecular weight of 249.39 g/mol. Its IUPAC name is ethane;(E,2E)-3-fluoro-2-(1-fluoropropylidene)hept-3-en-1-amine.

Molecular Properties

Compound Nameethane;(E,2E)-3-fluoro-2-(1-fluoropropylidene)hept-3-en-1-amine
PubChem CID143299688
Molecular FormulaC14H29F2N
Molecular Weight249.39 g/mol
Exact Mass249.23
IUPAC Nameethane;(E,2E)-3-fluoro-2-(1-fluoropropylidene)hept-3-en-1-amine
SMILESCC.CC.CCC/C=C(F)\C(CN)=C(\F)CC
InChIInChI=1S/C10H17F2N.2C2H6/c1-3-5-6-10(12)8(7-13)9(11)4-2;2*1-2/h6H,3-5,7,13H2,1-2H3;2*1-2H3/b9-8+,10-6+;;
InChIKeyCIGMUUZKATVOAX-BCOAGSNSSA-N
XLogP5.28
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500249.39
LogP ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze ethane;(E,2E)-3-fluoro-2-(1-fluoropropylidene)hept-3-en-1-amine 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

(Z)-1-fluoropent-1-en-1-ol
CID 173232591
(Z)-3,4-difluorohex-3-ene
CID 143535367
3-ethyl-2,2-dimethylhept-3-ene
CID 54053277
(E)-2-chlorohex-2-ene
CID 19796923
6-ethyl-4-fluorodeca-3,6-dien-5-one
CID 139816653
N-[(2E,4E)-4-fluoro-3-prop-1-en-2-ylocta-2,4-dien-2-yl]butan-2-imine
CID 145143946
(E,2Z)-3-fluoro-2-propylidenehex-3-en-1-amine
CID 142166676
(Z)-4-fluoro-3,3-dimethyloct-4-ene
CID 170342659
pent-1-ene-1,1-diol
CID 21473005
CID 154668407
CID 154668407
(Z)-2-fluorohexadec-2-en-1-amine;hydrochloride
CID 72735850
(E)-1-dimethoxyphosphoryl-3-fluorohept-3-en-2-one
CID 89415689

Frequently Asked Questions

What is the IUPAC name of ethane;(E,2E)-3-fluoro-2-(1-fluoropropylidene)hept-3-en-1-amine?
The IUPAC name of ethane;(E,2E)-3-fluoro-2-(1-fluoropropylidene)hept-3-en-1-amine (CID 143299688) is ethane;(E,2E)-3-fluoro-2-(1-fluoropropylidene)hept-3-en-1-amine.
What is the SMILES notation for ethane;(E,2E)-3-fluoro-2-(1-fluoropropylidene)hept-3-en-1-amine?
The canonical SMILES for ethane;(E,2E)-3-fluoro-2-(1-fluoropropylidene)hept-3-en-1-amine is CC.CC.CCC/C=C(F)\C(CN)=C(\F)CC.
What is the InChIKey of ethane;(E,2E)-3-fluoro-2-(1-fluoropropylidene)hept-3-en-1-amine?
The InChIKey is CIGMUUZKATVOAX-BCOAGSNSSA-N. The full InChI is InChI=1S/C10H17F2N.2C2H6/c1-3-5-6-10(12)8(7-13)9(11)4-2;2*1-2/h6H,3-5,7,13H2,1-2H3;2*1-2H3/b9-8+,10-6+;;.
What are the key properties of ethane;(E,2E)-3-fluoro-2-(1-fluoropropylidene)hept-3-en-1-amine?
ethane;(E,2E)-3-fluoro-2-(1-fluoropropylidene)hept-3-en-1-amine has a molecular weight of 249.39 g/mol, XLogP of 5.28, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(E,2E)-3-fluoro-2-(1-fluoropropylidene)hept-3-en-1-amine is sourced from PubChem (CID 143299688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).