1-cyclopropyl-6,6,6-trifluoro-1-methoxyhexan-2-ol

C10H17F3O2 — CID 116712667

IUPAC1-cyclopropyl-6,6,6-trifluoro-1-methoxyhexan-2-ol
SMILESCOC(C(O)CCCC(F)(F)F)C1CC1
InChIInChI=1S/C10H17F3O2/c1-15-9(7-4-5-7)8(14)3-2-6-10(11,12)13/h7-9,14H,2-6H2,1H3
InChIKeySPSFROFQCQZGNW-UHFFFAOYSA-N
MW226.24 g/mol
LogP2.50
Rot. Bonds6

About 1-cyclopropyl-6,6,6-trifluoro-1-methoxyhexan-2-ol

1-cyclopropyl-6,6,6-trifluoro-1-methoxyhexan-2-ol (PubChem CID 116712667) has the molecular formula C10H17F3O2 and a molecular weight of 226.24 g/mol. Its IUPAC name is 1-cyclopropyl-6,6,6-trifluoro-1-methoxyhexan-2-ol.

Molecular Properties

Compound Name1-cyclopropyl-6,6,6-trifluoro-1-methoxyhexan-2-ol
PubChem CID116712667
Molecular FormulaC10H17F3O2
Molecular Weight226.24 g/mol
Exact Mass226.12
IUPAC Name1-cyclopropyl-6,6,6-trifluoro-1-methoxyhexan-2-ol
SMILESCOC(C(O)CCCC(F)(F)F)C1CC1
InChIInChI=1S/C10H17F3O2/c1-15-9(7-4-5-7)8(14)3-2-6-10(11,12)13/h7-9,14H,2-6H2,1H3
InChIKeySPSFROFQCQZGNW-UHFFFAOYSA-N
XLogP2.50
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.24
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4,4-Difluorocyclohexyl)-2-methoxyethan-1-ol
CID 155819703
(1R)-2,2,2-trifluoro-1-[(1R,2R)-2-hexylcyclopropyl]ethanol
CID 14673434
(1S)-2,2,2-trifluoro-1-[(1R,2R)-2-hexylcyclopropyl]ethanol
CID 14673435
(1R)-2,2,2-trifluoro-1-[(1R,2S)-2-hexylcyclopropyl]ethanol
CID 14673436
(1S)-2,2,2-trifluoro-1-[(1R,2S)-2-hexylcyclopropyl]ethanol
CID 14673437
8,8-Difluoro-2,9-dimethyldecane-2,3,9-triol
CID 19043644
(1R)-2,2,2-trifluoro-1-[(1S,2S)-2-hexylcyclopropyl]ethanol
CID 57109132
(1R)-2,2,2-trifluoro-1-[(1S,2R)-2-hexylcyclopropyl]ethanol
CID 57302363
1-[2-(2-Hydroxyethoxy)ethoxy]-3-(1,1,2,2,2-pentafluoroethyl)octan-2-ol
CID 89735381
4-Methyl-1-(2,2,2-trifluoroethoxy)decan-2-ol
CID 126657375
2-Methyl-5-(1,1,1-trifluorobutan-2-yloxy)octan-4-ol
CID 132186933
2-Methyl-5-(1,1,1-trifluoropentan-2-yloxy)octan-4-ol
CID 132187280

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-6,6,6-trifluoro-1-methoxyhexan-2-ol?
The IUPAC name of 1-cyclopropyl-6,6,6-trifluoro-1-methoxyhexan-2-ol (CID 116712667) is 1-cyclopropyl-6,6,6-trifluoro-1-methoxyhexan-2-ol.
What is the SMILES notation for 1-cyclopropyl-6,6,6-trifluoro-1-methoxyhexan-2-ol?
The canonical SMILES for 1-cyclopropyl-6,6,6-trifluoro-1-methoxyhexan-2-ol is COC(C(O)CCCC(F)(F)F)C1CC1.
What is the InChIKey of 1-cyclopropyl-6,6,6-trifluoro-1-methoxyhexan-2-ol?
The InChIKey is SPSFROFQCQZGNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3O2/c1-15-9(7-4-5-7)8(14)3-2-6-10(11,12)13/h7-9,14H,2-6H2,1H3.
What are the key properties of 1-cyclopropyl-6,6,6-trifluoro-1-methoxyhexan-2-ol?
1-cyclopropyl-6,6,6-trifluoro-1-methoxyhexan-2-ol has a molecular weight of 226.24 g/mol, XLogP of 2.50, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-6,6,6-trifluoro-1-methoxyhexan-2-ol is sourced from PubChem (CID 116712667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).