(Z)-1,1-difluoro-3-(1-fluoroethenyl)pent-3-en-2-amine;ethene

C9H14F3N — CID 170619250

IUPAC(Z)-1,1-difluoro-3-(1-fluoroethenyl)pent-3-en-2-amine;ethene
SMILESC=C.C=C(F)/C(=C\C)C(N)C(F)F
InChIInChI=1S/C7H10F3N.C2H4/c1-3-5(4(2)8)6(11)7(9)10;1-2/h3,6-7H,2,11H2,1H3;1-2H2/b5-3+;
InChIKeyMCWFDNGCYKQNMT-WGCWOXMQSA-N
MW193.21 g/mol
LogP2.81
Rot. Bonds3

About (Z)-1,1-difluoro-3-(1-fluoroethenyl)pent-3-en-2-amine;ethene

(Z)-1,1-difluoro-3-(1-fluoroethenyl)pent-3-en-2-amine;ethene (PubChem CID 170619250) has the molecular formula C9H14F3N and a molecular weight of 193.21 g/mol. Its IUPAC name is (Z)-1,1-difluoro-3-(1-fluoroethenyl)pent-3-en-2-amine;ethene.

Molecular Properties

Compound Name(Z)-1,1-difluoro-3-(1-fluoroethenyl)pent-3-en-2-amine;ethene
PubChem CID170619250
Molecular FormulaC9H14F3N
Molecular Weight193.21 g/mol
Exact Mass193.11
IUPAC Name(Z)-1,1-difluoro-3-(1-fluoroethenyl)pent-3-en-2-amine;ethene
SMILESC=C.C=C(F)/C(=C\C)C(N)C(F)F
InChIInChI=1S/C7H10F3N.C2H4/c1-3-5(4(2)8)6(11)7(9)10;1-2/h3,6-7H,2,11H2,1H3;1-2H2/b5-3+;
InChIKeyMCWFDNGCYKQNMT-WGCWOXMQSA-N
XLogP2.81
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.21
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-Cyclohexa-1,5-dien-1-ylethanamine
CID 91106318
(E)-1,1-difluorohept-3-ene-2,5-diamine
CID 20466302
(E)-1,1-difluoro-3-methylhex-3-ene-2,5-diamine
CID 20476188
(E)-1,1-difluoro-4-methylhept-3-ene-2,5-diamine
CID 20476198
2-Fluoro-2-methylaniline
CID 22273309
(E)-5,5-difluoro-3-methylpent-2-ene-1,4-diamine
CID 22825121
6-(Trifluoromethyl)cyclohexa-2,4-dien-1-amine
CID 23505215
5,5-Difluoro-3-methylpent-2-ene-1,4-diamine
CID 54087168
1,1-Difluorohept-3-ene-2,5-diamine
CID 54131887
5,5-Difluoroocta-2,7-dien-4-amine
CID 54176095
1,1-Difluoro-3-methylhex-3-ene-2,5-diamine
CID 54193490
1,1-Difluoro-4-methylhept-3-ene-2,5-diamine
CID 54214840

Frequently Asked Questions

What is the IUPAC name of (Z)-1,1-difluoro-3-(1-fluoroethenyl)pent-3-en-2-amine;ethene?
The IUPAC name of (Z)-1,1-difluoro-3-(1-fluoroethenyl)pent-3-en-2-amine;ethene (CID 170619250) is (Z)-1,1-difluoro-3-(1-fluoroethenyl)pent-3-en-2-amine;ethene.
What is the SMILES notation for (Z)-1,1-difluoro-3-(1-fluoroethenyl)pent-3-en-2-amine;ethene?
The canonical SMILES for (Z)-1,1-difluoro-3-(1-fluoroethenyl)pent-3-en-2-amine;ethene is C=C.C=C(F)/C(=C\C)C(N)C(F)F.
What is the InChIKey of (Z)-1,1-difluoro-3-(1-fluoroethenyl)pent-3-en-2-amine;ethene?
The InChIKey is MCWFDNGCYKQNMT-WGCWOXMQSA-N. The full InChI is InChI=1S/C7H10F3N.C2H4/c1-3-5(4(2)8)6(11)7(9)10;1-2/h3,6-7H,2,11H2,1H3;1-2H2/b5-3+;.
What are the key properties of (Z)-1,1-difluoro-3-(1-fluoroethenyl)pent-3-en-2-amine;ethene?
(Z)-1,1-difluoro-3-(1-fluoroethenyl)pent-3-en-2-amine;ethene has a molecular weight of 193.21 g/mol, XLogP of 2.81, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1,1-difluoro-3-(1-fluoroethenyl)pent-3-en-2-amine;ethene is sourced from PubChem (CID 170619250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).