1,1,1-trifluoro-6-methyl-4-(2-methylpropyl)heptan-4-ol

C12H23F3O — CID 114865192

IUPAC1,1,1-trifluoro-6-methyl-4-(2-methylpropyl)heptan-4-ol
SMILESCC(C)CC(O)(CCC(F)(F)F)CC(C)C
InChIInChI=1S/C12H23F3O/c1-9(2)7-11(16,8-10(3)4)5-6-12(13,14)15/h9-10,16H,5-8H2,1-4H3
InChIKeyITVJGONSFPONFA-UHFFFAOYSA-N
MW240.31 g/mol
LogP4.15
Rot. Bonds6

About 1,1,1-trifluoro-6-methyl-4-(2-methylpropyl)heptan-4-ol

1,1,1-trifluoro-6-methyl-4-(2-methylpropyl)heptan-4-ol (PubChem CID 114865192) has the molecular formula C12H23F3O and a molecular weight of 240.31 g/mol. Its IUPAC name is 1,1,1-trifluoro-6-methyl-4-(2-methylpropyl)heptan-4-ol.

Molecular Properties

Compound Name1,1,1-trifluoro-6-methyl-4-(2-methylpropyl)heptan-4-ol
PubChem CID114865192
Molecular FormulaC12H23F3O
Molecular Weight240.31 g/mol
Exact Mass240.17
IUPAC Name1,1,1-trifluoro-6-methyl-4-(2-methylpropyl)heptan-4-ol
SMILESCC(C)CC(O)(CCC(F)(F)F)CC(C)C
InChIInChI=1S/C12H23F3O/c1-9(2)7-11(16,8-10(3)4)5-6-12(13,14)15/h9-10,16H,5-8H2,1-4H3
InChIKeyITVJGONSFPONFA-UHFFFAOYSA-N
XLogP4.15
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

6-methyl-2-(2-methylpropyl)heptane-1,2-diol
CID 171442388
2-methyl-4-(2-methylpropyl)oct-7-yn-4-ol
CID 114865146
ethane;1,1,1-trifluoro-4-methylpentane
CID 142517870
6-ethyl-2-methyl-4-(2-methylpropyl)octan-4-ol
CID 114865537
1-ethylsulfonyl-6-methyl-4-(2-methylpropyl)heptan-4-ol
CID 114865370
(3S)-3-amino-5-methylhexane-1,3-diol
CID 130357952
methyl (2S)-6,6,6-trifluoro-2-hydroxy-2-(2-methylpropyl)-3-oxohexanoate
CID 168861748
3-hydroxy-5-methyl-3-(2-methylpropyl)hexanamide
CID 139781275
2-ethyl-2-fluoro-4-methylpentan-1-ol
CID 160606939
1,1-dimethoxy-3-methylbutan-1-ol
CID 11435025
2-ethoxycarbonyl-5,5,5-trifluoro-2-(2-methylpropyl)pentanoic acid
CID 103973958
4-(cyclopropylmethyl)-2,6-dimethylheptan-4-ol
CID 114865349

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-6-methyl-4-(2-methylpropyl)heptan-4-ol?
The IUPAC name of 1,1,1-trifluoro-6-methyl-4-(2-methylpropyl)heptan-4-ol (CID 114865192) is 1,1,1-trifluoro-6-methyl-4-(2-methylpropyl)heptan-4-ol.
What is the SMILES notation for 1,1,1-trifluoro-6-methyl-4-(2-methylpropyl)heptan-4-ol?
The canonical SMILES for 1,1,1-trifluoro-6-methyl-4-(2-methylpropyl)heptan-4-ol is CC(C)CC(O)(CCC(F)(F)F)CC(C)C.
What is the InChIKey of 1,1,1-trifluoro-6-methyl-4-(2-methylpropyl)heptan-4-ol?
The InChIKey is ITVJGONSFPONFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23F3O/c1-9(2)7-11(16,8-10(3)4)5-6-12(13,14)15/h9-10,16H,5-8H2,1-4H3.
What are the key properties of 1,1,1-trifluoro-6-methyl-4-(2-methylpropyl)heptan-4-ol?
1,1,1-trifluoro-6-methyl-4-(2-methylpropyl)heptan-4-ol has a molecular weight of 240.31 g/mol, XLogP of 4.15, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-6-methyl-4-(2-methylpropyl)heptan-4-ol is sourced from PubChem (CID 114865192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).