1,1-difluorohex-1-en-2-yl-diphenyl-sulfanylidene-lambda5-phosphane

C18H19F2PS — CID 11099759

IUPAC1,1-difluorohex-1-en-2-yl-diphenyl-sulfanylidene-lambda5-phosphane
SMILESCCCCC(=C(F)F)P(=S)(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H19F2PS/c1-2-3-14-17(18(19)20)21(22,15-10-6-4-7-11-15)16-12-8-5-9-13-16/h4-13H,2-3,14H2,1H3
InChIKeySOCPSFCPSHDCNU-UHFFFAOYSA-N
MW336.39 g/mol
LogP5.42
Rot. Bonds6

About 1,1-difluorohex-1-en-2-yl-diphenyl-sulfanylidene-lambda5-phosphane

1,1-difluorohex-1-en-2-yl-diphenyl-sulfanylidene-lambda5-phosphane (PubChem CID 11099759) has the molecular formula C18H19F2PS and a molecular weight of 336.39 g/mol. Its IUPAC name is 1,1-difluorohex-1-en-2-yl-diphenyl-sulfanylidene-lambda5-phosphane.

Molecular Properties

Compound Name1,1-difluorohex-1-en-2-yl-diphenyl-sulfanylidene-lambda5-phosphane
PubChem CID11099759
Molecular FormulaC18H19F2PS
Molecular Weight336.39 g/mol
Exact Mass336.09
IUPAC Name1,1-difluorohex-1-en-2-yl-diphenyl-sulfanylidene-lambda5-phosphane
SMILESCCCCC(=C(F)F)P(=S)(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H19F2PS/c1-2-3-14-17(18(19)20)21(22,15-10-6-4-7-11-15)16-12-8-5-9-13-16/h4-13H,2-3,14H2,1H3
InChIKeySOCPSFCPSHDCNU-UHFFFAOYSA-N
XLogP5.42
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.39
LogP ≤ 55.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(E)-2-diphenylphosphinothioyl-1,3-diphenylhept-2-en-1-one
CID 102083814
[(Z)-1-diphenylphosphinothioylpent-1-en-2-yl]-diphenyl-sulfanylidene-λ5-phosphane
CID 102184006
N-[hydroxy(phenyl)phosphinothioyl]butan-1-amine
CID 130397670
dioctyl-phenyl-sulfanylidene-λ5-phosphane
CID 54529232
[(4E)-nona-1,4-dien-4-yl]-diphenyl-sulfanylidene-λ5-phosphane
CID 102083818
3-(difluoromethylidene)hept-1-en-2-ylbenzene
CID 10911134
1,1-difluorohept-1-en-2-ylbenzene
CID 10954812
dibutoxy-phenyl-sulfanylidene-lambda5-phosphane
CID 10968132
hydroxy-(2-methylpentylsulfanyl)-phenyl-sulfanylidene-λ5-phosphane;hydrochloride
CID 70475446
phenyl-dipropyl-sulfanylidene-λ5-phosphane
CID 135075774
pentanoyloxy(phenyl)phosphinic acid
CID 174749674
hexoxy-diphenyl-sulfanylidene-λ5-phosphane
CID 134935003

Frequently Asked Questions

What is the IUPAC name of 1,1-difluorohex-1-en-2-yl-diphenyl-sulfanylidene-lambda5-phosphane?
The IUPAC name of 1,1-difluorohex-1-en-2-yl-diphenyl-sulfanylidene-lambda5-phosphane (CID 11099759) is 1,1-difluorohex-1-en-2-yl-diphenyl-sulfanylidene-lambda5-phosphane.
What is the SMILES notation for 1,1-difluorohex-1-en-2-yl-diphenyl-sulfanylidene-lambda5-phosphane?
The canonical SMILES for 1,1-difluorohex-1-en-2-yl-diphenyl-sulfanylidene-lambda5-phosphane is CCCCC(=C(F)F)P(=S)(c1ccccc1)c1ccccc1.
What is the InChIKey of 1,1-difluorohex-1-en-2-yl-diphenyl-sulfanylidene-lambda5-phosphane?
The InChIKey is SOCPSFCPSHDCNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F2PS/c1-2-3-14-17(18(19)20)21(22,15-10-6-4-7-11-15)16-12-8-5-9-13-16/h4-13H,2-3,14H2,1H3.
What are the key properties of 1,1-difluorohex-1-en-2-yl-diphenyl-sulfanylidene-lambda5-phosphane?
1,1-difluorohex-1-en-2-yl-diphenyl-sulfanylidene-lambda5-phosphane has a molecular weight of 336.39 g/mol, XLogP of 5.42, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluorohex-1-en-2-yl-diphenyl-sulfanylidene-lambda5-phosphane is sourced from PubChem (CID 11099759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).