(E)-3-fluoro-N-[(2R)-1-fluoropropan-2-yl]pent-3-en-2-imine

C8H13F2N — CID 155297896

IUPAC(E)-3-fluoro-N-[(2R)-1-fluoropropan-2-yl]pent-3-en-2-imine
SMILESC/C=C(F)\C(C)=N\[C@H](C)CF
InChIInChI=1S/C8H13F2N/c1-4-8(10)7(3)11-6(2)5-9/h4,6H,5H2,1-3H3/b8-4+,11-7+/t6-/m1/s1
InChIKeyWTHMWOWPWMERSI-PPRFVVMRSA-N
MW161.19 g/mol
LogP2.68
Rot. Bonds3

About (E)-3-fluoro-N-[(2R)-1-fluoropropan-2-yl]pent-3-en-2-imine

(E)-3-fluoro-N-[(2R)-1-fluoropropan-2-yl]pent-3-en-2-imine (PubChem CID 155297896) has the molecular formula C8H13F2N and a molecular weight of 161.19 g/mol. Its IUPAC name is (E)-3-fluoro-N-[(2R)-1-fluoropropan-2-yl]pent-3-en-2-imine.

Molecular Properties

Compound Name(E)-3-fluoro-N-[(2R)-1-fluoropropan-2-yl]pent-3-en-2-imine
PubChem CID155297896
Molecular FormulaC8H13F2N
Molecular Weight161.19 g/mol
Exact Mass161.10
IUPAC Name(E)-3-fluoro-N-[(2R)-1-fluoropropan-2-yl]pent-3-en-2-imine
SMILESC/C=C(F)\C(C)=N\[C@H](C)CF
InChIInChI=1S/C8H13F2N/c1-4-8(10)7(3)11-6(2)5-9/h4,6H,5H2,1-3H3/b8-4+,11-7+/t6-/m1/s1
InChIKeyWTHMWOWPWMERSI-PPRFVVMRSA-N
XLogP2.68
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.19
LogP ≤ 52.68
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

(2S)-5-fluoro-2,6-dimethyl-2,3-dihydropyridine
CID 67991606
(2S)-6-(2-fluoroethyl)-2-methyl-2,3-dihydropyridine
CID 67991646
(2S)-6-(fluoromethyl)-2-methyl-2,3-dihydropyridine
CID 67991648
2-(Fluoromethyl)-6-methyl-2,3-dihydropyridine
CID 70459540
(Z)-5-N-ethyl-1,1,1-trifluorohex-3-ene-2,5-diimine
CID 91208998
1,1,1-trifluoro-N,4-dimethylhex-3-en-2-imine
CID 123152051
(E)-N-butan-2-yl-1,1,5,5-tetrafluoro-4-methylpent-3-en-2-imine
CID 123185746
(E)-N-methyl-3-(trifluoromethyl)hex-3-en-2-imine
CID 123199800
3,4-difluoro-N-methylhex-3-en-2-imine
CID 123282924
(E)-N-methyl-4-(trifluoromethyl)hex-3-en-2-imine
CID 123923109
(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

Frequently Asked Questions

What is the IUPAC name of (E)-3-fluoro-N-[(2R)-1-fluoropropan-2-yl]pent-3-en-2-imine?
The IUPAC name of (E)-3-fluoro-N-[(2R)-1-fluoropropan-2-yl]pent-3-en-2-imine (CID 155297896) is (E)-3-fluoro-N-[(2R)-1-fluoropropan-2-yl]pent-3-en-2-imine.
What is the SMILES notation for (E)-3-fluoro-N-[(2R)-1-fluoropropan-2-yl]pent-3-en-2-imine?
The canonical SMILES for (E)-3-fluoro-N-[(2R)-1-fluoropropan-2-yl]pent-3-en-2-imine is C/C=C(F)\C(C)=N\[C@H](C)CF.
What is the InChIKey of (E)-3-fluoro-N-[(2R)-1-fluoropropan-2-yl]pent-3-en-2-imine?
The InChIKey is WTHMWOWPWMERSI-PPRFVVMRSA-N. The full InChI is InChI=1S/C8H13F2N/c1-4-8(10)7(3)11-6(2)5-9/h4,6H,5H2,1-3H3/b8-4+,11-7+/t6-/m1/s1.
What are the key properties of (E)-3-fluoro-N-[(2R)-1-fluoropropan-2-yl]pent-3-en-2-imine?
(E)-3-fluoro-N-[(2R)-1-fluoropropan-2-yl]pent-3-en-2-imine has a molecular weight of 161.19 g/mol, XLogP of 2.68, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-fluoro-N-[(2R)-1-fluoropropan-2-yl]pent-3-en-2-imine is sourced from PubChem (CID 155297896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).