N-buta-1,2-dienyl-3-fluoro-4-methylpent-3-en-2-imine

C10H14FN — CID 166976443

IUPACN-buta-1,2-dienyl-3-fluoro-4-methylpent-3-en-2-imine
SMILESCC=C=C/N=C(\C)C(F)=C(C)C
InChIInChI=1S/C10H14FN/c1-5-6-7-12-9(4)10(11)8(2)3/h5,7H,1-4H3/b12-9+
InChIKeyCIXLTDWJXNUFTP-FMIVXFBMSA-N
MW167.23 g/mol
LogP3.40
Rot. Bonds2

About N-buta-1,2-dienyl-3-fluoro-4-methylpent-3-en-2-imine

N-buta-1,2-dienyl-3-fluoro-4-methylpent-3-en-2-imine (PubChem CID 166976443) has the molecular formula C10H14FN and a molecular weight of 167.23 g/mol. Its IUPAC name is N-buta-1,2-dienyl-3-fluoro-4-methylpent-3-en-2-imine.

Molecular Properties

Compound NameN-buta-1,2-dienyl-3-fluoro-4-methylpent-3-en-2-imine
PubChem CID166976443
Molecular FormulaC10H14FN
Molecular Weight167.23 g/mol
Exact Mass167.11
IUPAC NameN-buta-1,2-dienyl-3-fluoro-4-methylpent-3-en-2-imine
SMILESCC=C=C/N=C(\C)C(F)=C(C)C
InChIInChI=1S/C10H14FN/c1-5-6-7-12-9(4)10(11)8(2)3/h5,7H,1-4H3/b12-9+
InChIKeyCIXLTDWJXNUFTP-FMIVXFBMSA-N
XLogP3.40
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.23
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

1,1,1-trifluoro-N,4-dimethylhex-3-en-2-imine
CID 123152051
(E)-N-methyl-3-(trifluoromethyl)hex-3-en-2-imine
CID 123199800
(E)-N-methyl-4-(trifluoromethyl)hex-3-en-2-imine
CID 123923109
(E)-N-(2-fluoro-2-methylpropyl)-3-methylpent-3-en-2-imine
CID 123979160
(E)-3-(1,1-difluoroethyl)-N-ethylpent-3-en-2-imine
CID 123999875
1,1,1-trifluoro-4-methyl-N-propylpent-3-en-2-imine
CID 138509578
3-methyl-7-(trifluoromethyl)-4H-azepine
CID 142851450
(E)-N-ethenyl-3-(trifluoromethyl)pent-3-en-2-imine
CID 142927437
5-Fluoro-3,6-dimethyl-2,3-dihydropyridine
CID 146561026
(Z)-1,1,1-trifluoro-N,4-dimethylhex-3-en-2-imine
CID 147963737
(E)-3-fluoro-N-[(2R)-1-fluoropropan-2-yl]pent-3-en-2-imine
CID 155297896
(Z)-1,1,1-trifluoro-3-methyl-N-[(Z)-2-methylbut-1-enyl]pent-3-en-2-imine
CID 162549602

Frequently Asked Questions

What is the IUPAC name of N-buta-1,2-dienyl-3-fluoro-4-methylpent-3-en-2-imine?
The IUPAC name of N-buta-1,2-dienyl-3-fluoro-4-methylpent-3-en-2-imine (CID 166976443) is N-buta-1,2-dienyl-3-fluoro-4-methylpent-3-en-2-imine.
What is the SMILES notation for N-buta-1,2-dienyl-3-fluoro-4-methylpent-3-en-2-imine?
The canonical SMILES for N-buta-1,2-dienyl-3-fluoro-4-methylpent-3-en-2-imine is CC=C=C/N=C(\C)C(F)=C(C)C.
What is the InChIKey of N-buta-1,2-dienyl-3-fluoro-4-methylpent-3-en-2-imine?
The InChIKey is CIXLTDWJXNUFTP-FMIVXFBMSA-N. The full InChI is InChI=1S/C10H14FN/c1-5-6-7-12-9(4)10(11)8(2)3/h5,7H,1-4H3/b12-9+.
What are the key properties of N-buta-1,2-dienyl-3-fluoro-4-methylpent-3-en-2-imine?
N-buta-1,2-dienyl-3-fluoro-4-methylpent-3-en-2-imine has a molecular weight of 167.23 g/mol, XLogP of 3.40, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-buta-1,2-dienyl-3-fluoro-4-methylpent-3-en-2-imine is sourced from PubChem (CID 166976443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).