7,8,8,8-tetrafluoro-3,7-bis(trifluoromethyl)octane-1-thiol

C10H12F10S — CID 143638102

IUPAC7,8,8,8-tetrafluoro-3,7-bis(trifluoromethyl)octane-1-thiol
SMILESFC(F)(F)C(CCS)CCCC(F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10H12F10S/c11-7(9(15,16)17,10(18,19)20)4-1-2-6(3-5-21)8(12,13)14/h6,21H,1-5H2
InChIKeyMOKKSAIKYBSRLR-UHFFFAOYSA-N
MW354.25 g/mol
LogP5.49
Rot. Bonds6

About 7,8,8,8-tetrafluoro-3,7-bis(trifluoromethyl)octane-1-thiol

7,8,8,8-tetrafluoro-3,7-bis(trifluoromethyl)octane-1-thiol (PubChem CID 143638102) has the molecular formula C10H12F10S and a molecular weight of 354.25 g/mol. Its IUPAC name is 7,8,8,8-tetrafluoro-3,7-bis(trifluoromethyl)octane-1-thiol.

Molecular Properties

Compound Name7,8,8,8-tetrafluoro-3,7-bis(trifluoromethyl)octane-1-thiol
PubChem CID143638102
Molecular FormulaC10H12F10S
Molecular Weight354.25 g/mol
Exact Mass354.05
IUPAC Name7,8,8,8-tetrafluoro-3,7-bis(trifluoromethyl)octane-1-thiol
SMILESFC(F)(F)C(CCS)CCCC(F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10H12F10S/c11-7(9(15,16)17,10(18,19)20)4-1-2-6(3-5-21)8(12,13)14/h6,21H,1-5H2
InChIKeyMOKKSAIKYBSRLR-UHFFFAOYSA-N
XLogP5.49
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.25
LogP ≤ 55.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

1,1,1,2-tetrafluoro-2-methyl-6-(trifluoromethyl)undecane
CID 58419046
3,3,7,8,8,8-hexafluoro-5,7-bis(trifluoromethyl)octane-1-thiol
CID 59721664
9,9,11,11,13,14,14,14-octafluoro-3,5,7,13-tetrakis(trifluoromethyl)tetradecane-1-thiol
CID 59721655
6,6,6-trifluoro-5-methyl-3-(trifluoromethyl)hexane-1-thiol
CID 154159165
21-(trifluoromethyl)hentetracontane-1,41-diamine
CID 150441397
7,8,8,8-tetrafluoro-7-(trifluoromethyl)octan-1-ol
CID 2776192
1,1,1,2-tetrafluoro-4-iodo-2-(trifluoromethyl)butane;3,4,4,4-tetrafluoro-3-(trifluoromethyl)butane-1-thiol
CID 158646492
1,1,1,2,9,10,10,10-octafluoro-4-methanidyl-2,9-bis(trifluoromethyl)decane;uranium
CID 159332832
1,1,1,2-tetrafluoro-16-(3-methylbutoxy)-2-(trifluoromethyl)hexadecane
CID 126561772
3-(trichloromethyl)undecane-1-thiol
CID 150544177
5-(trifluoromethyl)decane;yttrium(3+)
CID 20801388
4-(trifluoromethyl)decanoic acid
CID 88597361

Frequently Asked Questions

What is the IUPAC name of 7,8,8,8-tetrafluoro-3,7-bis(trifluoromethyl)octane-1-thiol?
The IUPAC name of 7,8,8,8-tetrafluoro-3,7-bis(trifluoromethyl)octane-1-thiol (CID 143638102) is 7,8,8,8-tetrafluoro-3,7-bis(trifluoromethyl)octane-1-thiol.
What is the SMILES notation for 7,8,8,8-tetrafluoro-3,7-bis(trifluoromethyl)octane-1-thiol?
The canonical SMILES for 7,8,8,8-tetrafluoro-3,7-bis(trifluoromethyl)octane-1-thiol is FC(F)(F)C(CCS)CCCC(F)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 7,8,8,8-tetrafluoro-3,7-bis(trifluoromethyl)octane-1-thiol?
The InChIKey is MOKKSAIKYBSRLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F10S/c11-7(9(15,16)17,10(18,19)20)4-1-2-6(3-5-21)8(12,13)14/h6,21H,1-5H2.
What are the key properties of 7,8,8,8-tetrafluoro-3,7-bis(trifluoromethyl)octane-1-thiol?
7,8,8,8-tetrafluoro-3,7-bis(trifluoromethyl)octane-1-thiol has a molecular weight of 354.25 g/mol, XLogP of 5.49, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8,8,8-tetrafluoro-3,7-bis(trifluoromethyl)octane-1-thiol is sourced from PubChem (CID 143638102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).