1,1,1-trifluoro-3,3-bis(1,1,1,3,3,3-hexafluoropropan-2-yl)-2-(trifluoromethyl)dodecane

C19H22F18 — CID 150550335

IUPAC1,1,1-trifluoro-3,3-bis(1,1,1,3,3,3-hexafluoropropan-2-yl)-2-(trifluoromethyl)dodecane
SMILESCCCCCCCCCC(C(C(F)(F)F)C(F)(F)F)(C(C(F)(F)F)C(F)(F)F)C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C19H22F18/c1-2-3-4-5-6-7-8-9-13(10(14(20,21)22)15(23,24)25,11(16(26,27)28)17(29,30)31)12(18(32,33)34)19(35,36)37/h10-12H,2-9H2,1H3
InChIKeyIHSVODCRPATGEE-UHFFFAOYSA-N
MW592.35 g/mol
LogP10.34
Rot. Bonds11

About 1,1,1-trifluoro-3,3-bis(1,1,1,3,3,3-hexafluoropropan-2-yl)-2-(trifluoromethyl)dodecane

1,1,1-trifluoro-3,3-bis(1,1,1,3,3,3-hexafluoropropan-2-yl)-2-(trifluoromethyl)dodecane (PubChem CID 150550335) has the molecular formula C19H22F18 and a molecular weight of 592.35 g/mol. Its IUPAC name is 1,1,1-trifluoro-3,3-bis(1,1,1,3,3,3-hexafluoropropan-2-yl)-2-(trifluoromethyl)dodecane.

Molecular Properties

Compound Name1,1,1-trifluoro-3,3-bis(1,1,1,3,3,3-hexafluoropropan-2-yl)-2-(trifluoromethyl)dodecane
PubChem CID150550335
Molecular FormulaC19H22F18
Molecular Weight592.35 g/mol
Exact Mass592.14
IUPAC Name1,1,1-trifluoro-3,3-bis(1,1,1,3,3,3-hexafluoropropan-2-yl)-2-(trifluoromethyl)dodecane
SMILESCCCCCCCCCC(C(C(F)(F)F)C(F)(F)F)(C(C(F)(F)F)C(F)(F)F)C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C19H22F18/c1-2-3-4-5-6-7-8-9-13(10(14(20,21)22)15(23,24)25,11(16(26,27)28)17(29,30)31)12(18(32,33)34)19(35,36)37/h10-12H,2-9H2,1H3
InChIKeyIHSVODCRPATGEE-UHFFFAOYSA-N
XLogP10.34
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds11
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500592.35
LogP ≤ 510.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1,1,1-trifluorohexadecane
CID 15685316
3,3-difluoro-2-methylnonane
CID 121443889
3,3-difluoro-2-methylheptadecane
CID 22951834
1,1,1,2,2-pentafluorononadecane
CID 98452406
9-fluoropentacosan-9-ol
CID 139794548
6-butyl-6-fluoroundecane
CID 11424735
1,1,1-trifluoro-2-(trifluoromethyl)octane
CID 87708107
1,1,1,7,7-pentafluoroheptadecane
CID 54180623
9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16-hexadecafluorohexacosane
CID 89419205
1,1,1-trifluoro-2-(trifluoromethyl)undecane
CID 150236240
2,3,3-trimethyloctadecane
CID 90966938
9,9-dioctyloctadecane
CID 19690418

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-3,3-bis(1,1,1,3,3,3-hexafluoropropan-2-yl)-2-(trifluoromethyl)dodecane?
The IUPAC name of 1,1,1-trifluoro-3,3-bis(1,1,1,3,3,3-hexafluoropropan-2-yl)-2-(trifluoromethyl)dodecane (CID 150550335) is 1,1,1-trifluoro-3,3-bis(1,1,1,3,3,3-hexafluoropropan-2-yl)-2-(trifluoromethyl)dodecane.
What is the SMILES notation for 1,1,1-trifluoro-3,3-bis(1,1,1,3,3,3-hexafluoropropan-2-yl)-2-(trifluoromethyl)dodecane?
The canonical SMILES for 1,1,1-trifluoro-3,3-bis(1,1,1,3,3,3-hexafluoropropan-2-yl)-2-(trifluoromethyl)dodecane is CCCCCCCCCC(C(C(F)(F)F)C(F)(F)F)(C(C(F)(F)F)C(F)(F)F)C(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-3,3-bis(1,1,1,3,3,3-hexafluoropropan-2-yl)-2-(trifluoromethyl)dodecane?
The InChIKey is IHSVODCRPATGEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F18/c1-2-3-4-5-6-7-8-9-13(10(14(20,21)22)15(23,24)25,11(16(26,27)28)17(29,30)31)12(18(32,33)34)19(35,36)37/h10-12H,2-9H2,1H3.
What are the key properties of 1,1,1-trifluoro-3,3-bis(1,1,1,3,3,3-hexafluoropropan-2-yl)-2-(trifluoromethyl)dodecane?
1,1,1-trifluoro-3,3-bis(1,1,1,3,3,3-hexafluoropropan-2-yl)-2-(trifluoromethyl)dodecane has a molecular weight of 592.35 g/mol, XLogP of 10.34, 11 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-3,3-bis(1,1,1,3,3,3-hexafluoropropan-2-yl)-2-(trifluoromethyl)dodecane is sourced from PubChem (CID 150550335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).