(Z)-2,4,4-trifluorobut-2-enenitrile

C4H2F3N — CID 174282316

IUPAC(Z)-2,4,4-trifluorobut-2-enenitrile
SMILESN#C/C(F)=C/C(F)F
InChIInChI=1S/C4H2F3N/c5-3(2-8)1-4(6)7/h1,4H/b3-1-
InChIKeyCNGBJJPWARFDSR-IWQZZHSRSA-N
MW121.06 g/mol
LogP1.63
Rot. Bonds1

About (Z)-2,4,4-trifluorobut-2-enenitrile

(Z)-2,4,4-trifluorobut-2-enenitrile (PubChem CID 174282316) has the molecular formula C4H2F3N and a molecular weight of 121.06 g/mol. Its IUPAC name is (Z)-2,4,4-trifluorobut-2-enenitrile.

Molecular Properties

Compound Name(Z)-2,4,4-trifluorobut-2-enenitrile
PubChem CID174282316
Molecular FormulaC4H2F3N
Molecular Weight121.06 g/mol
Exact Mass121.01
IUPAC Name(Z)-2,4,4-trifluorobut-2-enenitrile
SMILESN#C/C(F)=C/C(F)F
InChIInChI=1S/C4H2F3N/c5-3(2-8)1-4(6)7/h1,4H/b3-1-
InChIKeyCNGBJJPWARFDSR-IWQZZHSRSA-N
XLogP1.63
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500121.06
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1,1,2,4,4-pentafluorobut-2-ene
CID 161312912
chloromethane;1,1,3,3-tetrafluoroprop-1-ene
CID 174584065
(E)-2,4,4-trifluorobut-2-enal
CID 168983603
(Z)-2-fluoronon-2-enenitrile
CID 11400896
1,1-dichloro-3,3-difluoroprop-1-ene
CID 71361640
(3Z)-3-fluoropenta-1,3-diene-1,1,5,5-tetracarbonitrile
CID 15866330
(Z)-2-fluoro-3-(4-fluorophenyl)prop-2-enenitrile
CID 56969228
2-(sulfanylmethylidene)propanedinitrile
CID 19801161
sodium 2-(2,2-difluoro-1-hydroxyethylidene)propanedinitrile
CID 22618505
2-hydroxyimino-3-oxopropanenitrile
CID 19864919
2-fluoro-5-[4-[2-(4-pentylcyclohexyl)ethyl]cyclohexyl]pent-2-enenitrile
CID 54300257
(Z)-4-diethoxyphosphoryl-2-fluorobut-2-enenitrile
CID 15099088

Frequently Asked Questions

What is the IUPAC name of (Z)-2,4,4-trifluorobut-2-enenitrile?
The IUPAC name of (Z)-2,4,4-trifluorobut-2-enenitrile (CID 174282316) is (Z)-2,4,4-trifluorobut-2-enenitrile.
What is the SMILES notation for (Z)-2,4,4-trifluorobut-2-enenitrile?
The canonical SMILES for (Z)-2,4,4-trifluorobut-2-enenitrile is N#C/C(F)=C/C(F)F.
What is the InChIKey of (Z)-2,4,4-trifluorobut-2-enenitrile?
The InChIKey is CNGBJJPWARFDSR-IWQZZHSRSA-N. The full InChI is InChI=1S/C4H2F3N/c5-3(2-8)1-4(6)7/h1,4H/b3-1-.
What are the key properties of (Z)-2,4,4-trifluorobut-2-enenitrile?
(Z)-2,4,4-trifluorobut-2-enenitrile has a molecular weight of 121.06 g/mol, XLogP of 1.63, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2,4,4-trifluorobut-2-enenitrile is sourced from PubChem (CID 174282316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).