CID 174637308

C9F19O2S- — CID 174637308

IUPAC—
SMILESFC(F)=C(F)C(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)F.O=S([O-])F
InChIInChI=1S/C9F18.FHO2S/c10-1(2(11)12)3(13,14)5(16,17)4(15,8(22,23)24)6(18,19)7(20,21)9(25,26)27;1-4(2)3/h;(H,2,3)/p-1
InChIKeyCEIAXHBYHXNPAY-UHFFFAOYSA-M
MW533.13 g/mol
LogP6.19
Rot. Bonds5

About CID 174637308

CID 174637308 (PubChem CID 174637308) has the molecular formula C9F19O2S- and a molecular weight of 533.13 g/mol.

Molecular Properties

Compound NameCID 174637308
PubChem CID174637308
Molecular FormulaC9F19O2S-
Molecular Weight533.13 g/mol
Exact Mass532.93
IUPAC Name—
SMILESFC(F)=C(F)C(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)F.O=S([O-])F
InChIInChI=1S/C9F18.FHO2S/c10-1(2(11)12)3(13,14)5(16,17)4(15,8(22,23)24)6(18,19)7(20,21)9(25,26)27;1-4(2)3/h;(H,2,3)/p-1
InChIKeyCEIAXHBYHXNPAY-UHFFFAOYSA-M
XLogP6.19
TPSA40.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500533.13
LogP ≤ 56.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

CID 174756549
CID 174756549
1,1,2,3,3,4,4,5,5,5-decafluoropent-1-ene;dihydrate
CID 139608619
1,1,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-icosafluorodec-1-ene;prop-2-enoic acid
CID 175128551
1,1,1,2,2,3,3,4,4,5,6,7,7,8,8,9,9,10,10,11,11,12,12,12-tetracosafluorododec-5-ene
CID 85237088
methane;1,1,2,3,3,4,4,5,5,6,6,7,7,7-tetradecafluorohept-1-ene;3,4,4-trifluorobut-3-en-2-one
CID 160651878
1,1,2,3,3-pentafluoroprop-2-ene-1-sulfinate
CID 174654581
1,1,2,3,3,4,5,5,6,6,7,7,7-tridecafluoro-4-methoxyhept-1-ene
CID 150184728
2,2,3,4,4,5,5,5-octafluoro-3-(trifluoromethyl)pentanoyl fluoride
CID 90092935
3,3,5,6,6-pentafluoro-2,4,4-trimethylhex-5-ene-2-sulfinate
CID 89197566
1,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-nonadecafluorodec-1-enylboronic acid
CID 175476066
1,1,2,3,3,4,4,5,5,6,6-undecafluorohept-1-ene
CID 87084377
1,1,2,3,3,4,4,5,5-nonafluoro-5-(1,1,2,2,3,3,4,5,5-nonafluoropent-4-enoxy)pent-1-ene
CID 87892167

Frequently Asked Questions

What is the IUPAC name of CID 174637308?
The IUPAC name of CID 174637308 (CID 174637308) is not available.
What is the SMILES notation for CID 174637308?
The canonical SMILES for CID 174637308 is FC(F)=C(F)C(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)F.O=S([O-])F.
What is the InChIKey of CID 174637308?
The InChIKey is CEIAXHBYHXNPAY-UHFFFAOYSA-M. The full InChI is InChI=1S/C9F18.FHO2S/c10-1(2(11)12)3(13,14)5(16,17)4(15,8(22,23)24)6(18,19)7(20,21)9(25,26)27;1-4(2)3/h;(H,2,3)/p-1.
What are the key properties of CID 174637308?
CID 174637308 has a molecular weight of 533.13 g/mol, XLogP of 6.19, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 174637308 is sourced from PubChem (CID 174637308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).