(E)-1-cyclopropyl-4-fluoro-N,3-dimethyl-4-phosphanylpent-2-en-1-imine

C10H17FNP — CID 177146534

IUPAC(E)-1-cyclopropyl-4-fluoro-N,3-dimethyl-4-phosphanylpent-2-en-1-imine
SMILESC/N=C(/C=C(\C)C(C)(F)P)C1CC1
InChIInChI=1S/C10H17FNP/c1-7(10(2,11)13)6-9(12-3)8-4-5-8/h6,8H,4-5,13H2,1-3H3/b7-6+,12-9-
InChIKeyURBVSBCJBQBDQK-XGHSRDQLSA-N
MW201.22 g/mol
LogP2.97
Rot. Bonds3

About (E)-1-cyclopropyl-4-fluoro-N,3-dimethyl-4-phosphanylpent-2-en-1-imine

(E)-1-cyclopropyl-4-fluoro-N,3-dimethyl-4-phosphanylpent-2-en-1-imine (PubChem CID 177146534) has the molecular formula C10H17FNP and a molecular weight of 201.22 g/mol. Its IUPAC name is (E)-1-cyclopropyl-4-fluoro-N,3-dimethyl-4-phosphanylpent-2-en-1-imine.

Molecular Properties

Compound Name(E)-1-cyclopropyl-4-fluoro-N,3-dimethyl-4-phosphanylpent-2-en-1-imine
PubChem CID177146534
Molecular FormulaC10H17FNP
Molecular Weight201.22 g/mol
Exact Mass201.11
IUPAC Name(E)-1-cyclopropyl-4-fluoro-N,3-dimethyl-4-phosphanylpent-2-en-1-imine
SMILESC/N=C(/C=C(\C)C(C)(F)P)C1CC1
InChIInChI=1S/C10H17FNP/c1-7(10(2,11)13)6-9(12-3)8-4-5-8/h6,8H,4-5,13H2,1-3H3/b7-6+,12-9-
InChIKeyURBVSBCJBQBDQK-XGHSRDQLSA-N
XLogP2.97
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.22
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (E)-1-cyclopropyl-4-fluoro-N,3-dimethyl-4-phosphanylpent-2-en-1-imine with MolForge

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Related Compounds

(E)-5-cyclopropyl-2-fluoro-N,2-dimethylhex-4-en-3-imine
CID 166896627
(4E)-2-fluoro-N,2,5-trimethylnona-4,8-dien-3-imine
CID 169851903
(Z)-8-fluoro-N,2-dimethylnon-4-en-3-imine
CID 174356459
(4E)-6-fluoro-N,2,5,6-tetramethylhepta-1,4-dien-3-imine
CID 153392502
(E)-1-cyclopropyl-4,4-difluoro-N,3-dimethylpent-2-en-1-imine
CID 177146204
(E)-1-cyclopropyl-4-fluoro-N,3,4-trimethylpent-2-en-1-imine
CID 177146356
(E)-1-cyclopropyl-4,4,4-trifluoro-N,3-dimethylbut-2-en-1-imine
CID 177146408
(E)-1-cyclopropyl-4,4-difluoro-N,3-dimethyl-4-phosphanylbut-2-en-1-imine
CID 177146609
(E)-4-cyclopropyl-1,1,1-trifluoro-N-methylpent-3-en-2-imine
CID 178058027
1-cyclopropyl-3-methyl-N-propylbut-2-en-1-imine
CID 89066210
(Z)-N,4-dimethyl-2-phosphanylhex-4-en-3-imine
CID 123698347
(E)-1-cyclopropyl-N-ethyl-2,4-dimethylpent-1-en-3-imine
CID 166938107

Frequently Asked Questions

What is the IUPAC name of (E)-1-cyclopropyl-4-fluoro-N,3-dimethyl-4-phosphanylpent-2-en-1-imine?
The IUPAC name of (E)-1-cyclopropyl-4-fluoro-N,3-dimethyl-4-phosphanylpent-2-en-1-imine (CID 177146534) is (E)-1-cyclopropyl-4-fluoro-N,3-dimethyl-4-phosphanylpent-2-en-1-imine.
What is the SMILES notation for (E)-1-cyclopropyl-4-fluoro-N,3-dimethyl-4-phosphanylpent-2-en-1-imine?
The canonical SMILES for (E)-1-cyclopropyl-4-fluoro-N,3-dimethyl-4-phosphanylpent-2-en-1-imine is C/N=C(/C=C(\C)C(C)(F)P)C1CC1.
What is the InChIKey of (E)-1-cyclopropyl-4-fluoro-N,3-dimethyl-4-phosphanylpent-2-en-1-imine?
The InChIKey is URBVSBCJBQBDQK-XGHSRDQLSA-N. The full InChI is InChI=1S/C10H17FNP/c1-7(10(2,11)13)6-9(12-3)8-4-5-8/h6,8H,4-5,13H2,1-3H3/b7-6+,12-9-.
What are the key properties of (E)-1-cyclopropyl-4-fluoro-N,3-dimethyl-4-phosphanylpent-2-en-1-imine?
(E)-1-cyclopropyl-4-fluoro-N,3-dimethyl-4-phosphanylpent-2-en-1-imine has a molecular weight of 201.22 g/mol, XLogP of 2.97, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-cyclopropyl-4-fluoro-N,3-dimethyl-4-phosphanylpent-2-en-1-imine is sourced from PubChem (CID 177146534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).