ethane;(2E)-2-ethylidene-3,3-difluoro-N-propan-2-ylpentan-1-imine

C12H23F2N — CID 171493175

IUPACethane;(2E)-2-ethylidene-3,3-difluoro-N-propan-2-ylpentan-1-imine
SMILESC/C=C(\C=N\C(C)C)C(F)(F)CC.CC
InChIInChI=1S/C10H17F2N.C2H6/c1-5-9(7-13-8(3)4)10(11,12)6-2;1-2/h5,7-8H,6H2,1-4H3;1-2H3/b9-5+,13-7+;
InChIKeyNDQZIJICEDDITJ-AIFGFCDYSA-N
MW219.32 g/mol
LogP4.48
Rot. Bonds4

About ethane;(2E)-2-ethylidene-3,3-difluoro-N-propan-2-ylpentan-1-imine

ethane;(2E)-2-ethylidene-3,3-difluoro-N-propan-2-ylpentan-1-imine (PubChem CID 171493175) has the molecular formula C12H23F2N and a molecular weight of 219.32 g/mol. Its IUPAC name is ethane;(2E)-2-ethylidene-3,3-difluoro-N-propan-2-ylpentan-1-imine.

Molecular Properties

Compound Nameethane;(2E)-2-ethylidene-3,3-difluoro-N-propan-2-ylpentan-1-imine
PubChem CID171493175
Molecular FormulaC12H23F2N
Molecular Weight219.32 g/mol
Exact Mass219.18
IUPAC Nameethane;(2E)-2-ethylidene-3,3-difluoro-N-propan-2-ylpentan-1-imine
SMILESC/C=C(\C=N\C(C)C)C(F)(F)CC.CC
InChIInChI=1S/C10H17F2N.C2H6/c1-5-9(7-13-8(3)4)10(11,12)6-2;1-2/h5,7-8H,6H2,1-4H3;1-2H3/b9-5+,13-7+;
InChIKeyNDQZIJICEDDITJ-AIFGFCDYSA-N
XLogP4.48
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.32
LogP ≤ 54.48
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

(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
5-[(2R)-3-methylbutan-2-yl]-2-(trifluoromethyl)-2,3-dihydropyridine
CID 118476292
(2R)-5-[(2R)-pentan-2-yl]-2-(trifluoromethyl)-2,3-dihydropyridine
CID 118476293
N-butan-2-yl-2-ethylidene-4-methyl-3-(trifluoromethyl)hex-3-en-1-imine
CID 123348293
2,5-Dimethyl-3-(trifluoromethyl)-2,3-dihydropyridine
CID 123496912
N-pent-2-en-2-yl-2-(trifluoromethyl)prop-2-en-1-imine
CID 123975815
5-(1,1-Difluoroethyl)-2-propyl-2,3-dihydropyridine
CID 135197188
(E)-N-ethyl-4-fluoro-2-(trifluoromethyl)pent-2-en-1-imine
CID 137467801
(6E)-2-methyl-7-(trifluoromethyl)-2,5-dihydroazocine
CID 137467897
(4Z,6Z)-7-methyl-2-(3,3,3-trifluoropropyl)-2,3-dihydroazocine
CID 138489085
3-methyl-6-(trifluoromethyl)-4H-azepine
CID 138629228

Frequently Asked Questions

What is the IUPAC name of ethane;(2E)-2-ethylidene-3,3-difluoro-N-propan-2-ylpentan-1-imine?
The IUPAC name of ethane;(2E)-2-ethylidene-3,3-difluoro-N-propan-2-ylpentan-1-imine (CID 171493175) is ethane;(2E)-2-ethylidene-3,3-difluoro-N-propan-2-ylpentan-1-imine.
What is the SMILES notation for ethane;(2E)-2-ethylidene-3,3-difluoro-N-propan-2-ylpentan-1-imine?
The canonical SMILES for ethane;(2E)-2-ethylidene-3,3-difluoro-N-propan-2-ylpentan-1-imine is C/C=C(\C=N\C(C)C)C(F)(F)CC.CC.
What is the InChIKey of ethane;(2E)-2-ethylidene-3,3-difluoro-N-propan-2-ylpentan-1-imine?
The InChIKey is NDQZIJICEDDITJ-AIFGFCDYSA-N. The full InChI is InChI=1S/C10H17F2N.C2H6/c1-5-9(7-13-8(3)4)10(11,12)6-2;1-2/h5,7-8H,6H2,1-4H3;1-2H3/b9-5+,13-7+;.
What are the key properties of ethane;(2E)-2-ethylidene-3,3-difluoro-N-propan-2-ylpentan-1-imine?
ethane;(2E)-2-ethylidene-3,3-difluoro-N-propan-2-ylpentan-1-imine has a molecular weight of 219.32 g/mol, XLogP of 4.48, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(2E)-2-ethylidene-3,3-difluoro-N-propan-2-ylpentan-1-imine is sourced from PubChem (CID 171493175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).