1,1,1-trifluoro-7-methyl-2-(trifluoromethyl)octan-3-ol

C10H16F6O — CID 103312619

IUPAC1,1,1-trifluoro-7-methyl-2-(trifluoromethyl)octan-3-ol
SMILESCC(C)CCCC(O)C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10H16F6O/c1-6(2)4-3-5-7(17)8(9(11,12)13)10(14,15)16/h6-8,17H,3-5H2,1-2H3
InChIKeyCKHHUWYQKVHINV-UHFFFAOYSA-N
MW266.23 g/mol
LogP3.91
Rot. Bonds5

About 1,1,1-trifluoro-7-methyl-2-(trifluoromethyl)octan-3-ol

1,1,1-trifluoro-7-methyl-2-(trifluoromethyl)octan-3-ol (PubChem CID 103312619) has the molecular formula C10H16F6O and a molecular weight of 266.23 g/mol. Its IUPAC name is 1,1,1-trifluoro-7-methyl-2-(trifluoromethyl)octan-3-ol.

Molecular Properties

Compound Name1,1,1-trifluoro-7-methyl-2-(trifluoromethyl)octan-3-ol
PubChem CID103312619
Molecular FormulaC10H16F6O
Molecular Weight266.23 g/mol
Exact Mass266.11
IUPAC Name1,1,1-trifluoro-7-methyl-2-(trifluoromethyl)octan-3-ol
SMILESCC(C)CCCC(O)C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10H16F6O/c1-6(2)4-3-5-7(17)8(9(11,12)13)10(14,15)16/h6-8,17H,3-5H2,1-2H3
InChIKeyCKHHUWYQKVHINV-UHFFFAOYSA-N
XLogP3.91
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.23
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1,1,1-trifluoro-2-(trifluoromethyl)octan-3-ol
CID 103312468
(2R)-1,1,1-trifluoro-7-methyloctan-2-ol
CID 18396357
6,6-difluoro-2,10-dimethylundecane
CID 169289858
N-ethyl-1,1,1-trifluoro-7-methyl-2-(trifluoromethyl)octan-3-amine
CID 103312243
1,1,1-trifluoro-N,6-dimethylheptan-2-amine
CID 105029014
2,2,4,9-tetramethyldecan-5-ol
CID 156689448
1,1,1,2,2-pentafluoro-6-methylheptane
CID 20579538
1-fluoro-1-iodo-5-methylhexane
CID 141076544
2,3,10-trimethylundecan-4-ol
CID 156689827
16-methylheptadecane-7,8-diol
CID 118508542
(2R,3R,4R)-2,3,4-trihydroxy-8-methylnonanal
CID 139665627
2-ethylsulfanyl-1,1,1-trifluoro-6-methylheptane
CID 166781344

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-7-methyl-2-(trifluoromethyl)octan-3-ol?
The IUPAC name of 1,1,1-trifluoro-7-methyl-2-(trifluoromethyl)octan-3-ol (CID 103312619) is 1,1,1-trifluoro-7-methyl-2-(trifluoromethyl)octan-3-ol.
What is the SMILES notation for 1,1,1-trifluoro-7-methyl-2-(trifluoromethyl)octan-3-ol?
The canonical SMILES for 1,1,1-trifluoro-7-methyl-2-(trifluoromethyl)octan-3-ol is CC(C)CCCC(O)C(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-7-methyl-2-(trifluoromethyl)octan-3-ol?
The InChIKey is CKHHUWYQKVHINV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F6O/c1-6(2)4-3-5-7(17)8(9(11,12)13)10(14,15)16/h6-8,17H,3-5H2,1-2H3.
What are the key properties of 1,1,1-trifluoro-7-methyl-2-(trifluoromethyl)octan-3-ol?
1,1,1-trifluoro-7-methyl-2-(trifluoromethyl)octan-3-ol has a molecular weight of 266.23 g/mol, XLogP of 3.91, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-7-methyl-2-(trifluoromethyl)octan-3-ol is sourced from PubChem (CID 103312619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).