2-[2-(1,1-difluorohex-1-en-2-yl)phenyl]imino-1-phenylethanone

C20H19F2NO — CID 11301858

IUPAC2-[2-(1,1-difluorohex-1-en-2-yl)phenyl]imino-1-phenylethanone
SMILESCCCCC(=C(F)F)c1ccccc1/N=C/C(=O)c1ccccc1
InChIInChI=1S/C20H19F2NO/c1-2-3-11-17(20(21)22)16-12-7-8-13-18(16)23-14-19(24)15-9-5-4-6-10-15/h4-10,12-14H,2-3,11H2,1H3/b23-14+
InChIKeyBCFNTRIJWKXSJE-OEAKJJBVSA-N
MW327.37 g/mol
LogP6.07
Rot. Bonds7

About 2-[2-(1,1-difluorohex-1-en-2-yl)phenyl]imino-1-phenylethanone

2-[2-(1,1-difluorohex-1-en-2-yl)phenyl]imino-1-phenylethanone (PubChem CID 11301858) has the molecular formula C20H19F2NO and a molecular weight of 327.37 g/mol. Its IUPAC name is 2-[2-(1,1-difluorohex-1-en-2-yl)phenyl]imino-1-phenylethanone.

Molecular Properties

Compound Name2-[2-(1,1-difluorohex-1-en-2-yl)phenyl]imino-1-phenylethanone
PubChem CID11301858
Molecular FormulaC20H19F2NO
Molecular Weight327.37 g/mol
Exact Mass327.14
IUPAC Name2-[2-(1,1-difluorohex-1-en-2-yl)phenyl]imino-1-phenylethanone
SMILESCCCCC(=C(F)F)c1ccccc1/N=C/C(=O)c1ccccc1
InChIInChI=1S/C20H19F2NO/c1-2-3-11-17(20(21)22)16-12-7-8-13-18(16)23-14-19(24)15-9-5-4-6-10-15/h4-10,12-14H,2-3,11H2,1H3/b23-14+
InChIKeyBCFNTRIJWKXSJE-OEAKJJBVSA-N
XLogP6.07
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500327.37
LogP ≤ 56.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 10954812
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CID 11369625
1-[4-(7-phenyldodec-6-en-6-yl)phenyl]prop-2-en-1-one
CID 54435609
5-phenacylidenenonanal
CID 71404073
2-(heptylideneamino)benzoic acid
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N-(1-phenylpropylideneamino)pentanamide
CID 4996868
ethane;1-phenylpentan-1-one
CID 143728184
2-[4-(phenacylideneamino)butylimino]-1-phenylethanone
CID 102036935
1,1-diphenylhept-1-en-3-one
CID 69091035
N-(1-phenylpentylideneamino)octanamide
CID 4676930
8-phenyltetradec-7-en-7-ylbenzene
CID 141438246
[(E)-hept-2-en-3-yl]benzene
CID 14568345

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1,1-difluorohex-1-en-2-yl)phenyl]imino-1-phenylethanone?
The IUPAC name of 2-[2-(1,1-difluorohex-1-en-2-yl)phenyl]imino-1-phenylethanone (CID 11301858) is 2-[2-(1,1-difluorohex-1-en-2-yl)phenyl]imino-1-phenylethanone.
What is the SMILES notation for 2-[2-(1,1-difluorohex-1-en-2-yl)phenyl]imino-1-phenylethanone?
The canonical SMILES for 2-[2-(1,1-difluorohex-1-en-2-yl)phenyl]imino-1-phenylethanone is CCCCC(=C(F)F)c1ccccc1/N=C/C(=O)c1ccccc1.
What is the InChIKey of 2-[2-(1,1-difluorohex-1-en-2-yl)phenyl]imino-1-phenylethanone?
The InChIKey is BCFNTRIJWKXSJE-OEAKJJBVSA-N. The full InChI is InChI=1S/C20H19F2NO/c1-2-3-11-17(20(21)22)16-12-7-8-13-18(16)23-14-19(24)15-9-5-4-6-10-15/h4-10,12-14H,2-3,11H2,1H3/b23-14+.
What are the key properties of 2-[2-(1,1-difluorohex-1-en-2-yl)phenyl]imino-1-phenylethanone?
2-[2-(1,1-difluorohex-1-en-2-yl)phenyl]imino-1-phenylethanone has a molecular weight of 327.37 g/mol, XLogP of 6.07, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1,1-difluorohex-1-en-2-yl)phenyl]imino-1-phenylethanone is sourced from PubChem (CID 11301858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).