(2E)-2-ethylidene-3,3-difluoro-N-prop-1-en-2-ylpentan-1-imine

C10H15F2N — CID 171492771

IUPAC(2E)-2-ethylidene-3,3-difluoro-N-prop-1-en-2-ylpentan-1-imine
SMILESC=C(C)/N=C/C(=C\C)C(F)(F)CC
InChIInChI=1S/C10H15F2N/c1-5-9(7-13-8(3)4)10(11,12)6-2/h5,7H,3,6H2,1-2,4H3/b9-5+,13-7+
InChIKeyYRSYRYBEPCTXRB-MHUSLGGSSA-N
MW187.23 g/mol
LogP3.58
Rot. Bonds4

About (2E)-2-ethylidene-3,3-difluoro-N-prop-1-en-2-ylpentan-1-imine

(2E)-2-ethylidene-3,3-difluoro-N-prop-1-en-2-ylpentan-1-imine (PubChem CID 171492771) has the molecular formula C10H15F2N and a molecular weight of 187.23 g/mol. Its IUPAC name is (2E)-2-ethylidene-3,3-difluoro-N-prop-1-en-2-ylpentan-1-imine.

Molecular Properties

Compound Name(2E)-2-ethylidene-3,3-difluoro-N-prop-1-en-2-ylpentan-1-imine
PubChem CID171492771
Molecular FormulaC10H15F2N
Molecular Weight187.23 g/mol
Exact Mass187.12
IUPAC Name(2E)-2-ethylidene-3,3-difluoro-N-prop-1-en-2-ylpentan-1-imine
SMILESC=C(C)/N=C/C(=C\C)C(F)(F)CC
InChIInChI=1S/C10H15F2N/c1-5-9(7-13-8(3)4)10(11,12)6-2/h5,7H,3,6H2,1-2,4H3/b9-5+,13-7+
InChIKeyYRSYRYBEPCTXRB-MHUSLGGSSA-N
XLogP3.58
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.23
LogP ≤ 53.58
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

2-methylidene-N-(3,3,3-trifluoroprop-1-en-2-yl)butan-1-imine
CID 87065362
(Z)-2-ethyl-N-(3,3,3-trifluoroprop-1-en-2-yl)but-2-en-1-imine
CID 89210806
(7Z)-8-propan-2-yl-2-(trifluoromethyl)-5,6-dihydro-4H-azonine
CID 90882963
N-[(E)-1,1-difluoro-3-methylpent-2-en-2-yl]prop-2-en-1-imine
CID 117825719
3-ethyl-2-methyl-5-(trifluoromethyl)-4H-azepine
CID 123620995
N-pent-2-en-2-yl-2-(trifluoromethyl)prop-2-en-1-imine
CID 123975815
N-[(3E)-5-(trifluoromethyl)hexa-3,5-dien-3-yl]propan-1-imine
CID 126612017
2-methylidene-N-[(3E,5Z)-4-(trifluoromethyl)octa-1,3,5-trien-2-yl]butan-1-imine
CID 129171334
(2E)-5-ethenyl-2-[(2Z)-2-(2,2,2-trifluoroethyl)penta-2,4-dienylidene]-3H-pyridine
CID 129276493
2-fluoro-N-[(Z)-3-methylhex-2-en-2-yl]prop-2-en-1-imine
CID 131982774
(Z)-2-propan-2-yl-N-(1,1,1-trifluorobut-2-en-2-yl)but-2-en-1-imine
CID 134374866
5-(1,1-Difluoroethyl)-2-propyl-2,3-dihydropyridine
CID 135197188

Frequently Asked Questions

What is the IUPAC name of (2E)-2-ethylidene-3,3-difluoro-N-prop-1-en-2-ylpentan-1-imine?
The IUPAC name of (2E)-2-ethylidene-3,3-difluoro-N-prop-1-en-2-ylpentan-1-imine (CID 171492771) is (2E)-2-ethylidene-3,3-difluoro-N-prop-1-en-2-ylpentan-1-imine.
What is the SMILES notation for (2E)-2-ethylidene-3,3-difluoro-N-prop-1-en-2-ylpentan-1-imine?
The canonical SMILES for (2E)-2-ethylidene-3,3-difluoro-N-prop-1-en-2-ylpentan-1-imine is C=C(C)/N=C/C(=C\C)C(F)(F)CC.
What is the InChIKey of (2E)-2-ethylidene-3,3-difluoro-N-prop-1-en-2-ylpentan-1-imine?
The InChIKey is YRSYRYBEPCTXRB-MHUSLGGSSA-N. The full InChI is InChI=1S/C10H15F2N/c1-5-9(7-13-8(3)4)10(11,12)6-2/h5,7H,3,6H2,1-2,4H3/b9-5+,13-7+.
What are the key properties of (2E)-2-ethylidene-3,3-difluoro-N-prop-1-en-2-ylpentan-1-imine?
(2E)-2-ethylidene-3,3-difluoro-N-prop-1-en-2-ylpentan-1-imine has a molecular weight of 187.23 g/mol, XLogP of 3.58, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-ethylidene-3,3-difluoro-N-prop-1-en-2-ylpentan-1-imine is sourced from PubChem (CID 171492771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).