(Z)-1-butylsulfanyl-1-chloro-2,3,3,4,4,5,5-heptafluoropent-1-ene

C9H10ClF7S — CID 102096238

IUPAC(Z)-1-butylsulfanyl-1-chloro-2,3,3,4,4,5,5-heptafluoropent-1-ene
SMILESCCCCS/C(Cl)=C(/F)C(F)(F)C(F)(F)C(F)F
InChIInChI=1S/C9H10ClF7S/c1-2-3-4-18-6(10)5(11)8(14,15)9(16,17)7(12)13/h7H,2-4H2,1H3/b6-5+
InChIKeyFGDMYMOPWWCSOT-AATRIKPKSA-N
MW318.69 g/mol
LogP5.43
Rot. Bonds7

About (Z)-1-butylsulfanyl-1-chloro-2,3,3,4,4,5,5-heptafluoropent-1-ene

(Z)-1-butylsulfanyl-1-chloro-2,3,3,4,4,5,5-heptafluoropent-1-ene (PubChem CID 102096238) has the molecular formula C9H10ClF7S and a molecular weight of 318.69 g/mol. Its IUPAC name is (Z)-1-butylsulfanyl-1-chloro-2,3,3,4,4,5,5-heptafluoropent-1-ene.

Molecular Properties

Compound Name(Z)-1-butylsulfanyl-1-chloro-2,3,3,4,4,5,5-heptafluoropent-1-ene
PubChem CID102096238
Molecular FormulaC9H10ClF7S
Molecular Weight318.69 g/mol
Exact Mass318.01
IUPAC Name(Z)-1-butylsulfanyl-1-chloro-2,3,3,4,4,5,5-heptafluoropent-1-ene
SMILESCCCCS/C(Cl)=C(/F)C(F)(F)C(F)(F)C(F)F
InChIInChI=1S/C9H10ClF7S/c1-2-3-4-18-6(10)5(11)8(14,15)9(16,17)7(12)13/h7H,2-4H2,1H3/b6-5+
InChIKeyFGDMYMOPWWCSOT-AATRIKPKSA-N
XLogP5.43
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.69
LogP ≤ 55.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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2,2,3,3,4,4-hexafluoro-N-octadecylbutanamide
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propyl 2,2,3,3-tetrafluoropropanedithioate
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2,3-bis(butylsulfanyl)buta-1,3-diene
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1-(2,2-dichloro-1-pentylsulfanylethenyl)sulfanylpentane
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3-(difluoromethyl)-1,1,1,2-tetrafluorohept-2-ene
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S-hexyl 2,2,2-trifluoroethanethioate
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(E)-2-butylsulfanyl-1-chloro-3,3-dimethylbut-1-ene
CID 134933378
1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-hexadecafluorododecane
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1,1,2,2,3,3,4,4-octafluorodecane
CID 10613179

Frequently Asked Questions

What is the IUPAC name of (Z)-1-butylsulfanyl-1-chloro-2,3,3,4,4,5,5-heptafluoropent-1-ene?
The IUPAC name of (Z)-1-butylsulfanyl-1-chloro-2,3,3,4,4,5,5-heptafluoropent-1-ene (CID 102096238) is (Z)-1-butylsulfanyl-1-chloro-2,3,3,4,4,5,5-heptafluoropent-1-ene.
What is the SMILES notation for (Z)-1-butylsulfanyl-1-chloro-2,3,3,4,4,5,5-heptafluoropent-1-ene?
The canonical SMILES for (Z)-1-butylsulfanyl-1-chloro-2,3,3,4,4,5,5-heptafluoropent-1-ene is CCCCS/C(Cl)=C(/F)C(F)(F)C(F)(F)C(F)F.
What is the InChIKey of (Z)-1-butylsulfanyl-1-chloro-2,3,3,4,4,5,5-heptafluoropent-1-ene?
The InChIKey is FGDMYMOPWWCSOT-AATRIKPKSA-N. The full InChI is InChI=1S/C9H10ClF7S/c1-2-3-4-18-6(10)5(11)8(14,15)9(16,17)7(12)13/h7H,2-4H2,1H3/b6-5+.
What are the key properties of (Z)-1-butylsulfanyl-1-chloro-2,3,3,4,4,5,5-heptafluoropent-1-ene?
(Z)-1-butylsulfanyl-1-chloro-2,3,3,4,4,5,5-heptafluoropent-1-ene has a molecular weight of 318.69 g/mol, XLogP of 5.43, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-butylsulfanyl-1-chloro-2,3,3,4,4,5,5-heptafluoropent-1-ene is sourced from PubChem (CID 102096238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).