1-cyclopropyl-6,6,6-trifluorohexan-3-ol

C9H15F3O — CID 79952999

IUPAC1-cyclopropyl-6,6,6-trifluorohexan-3-ol
SMILESOC(CCC1CC1)CCC(F)(F)F
InChIInChI=1S/C9H15F3O/c10-9(11,12)6-5-8(13)4-3-7-1-2-7/h7-8,13H,1-6H2
InChIKeyYKTJYCMRZIFUSU-UHFFFAOYSA-N
MW196.21 g/mol
LogP2.88
Rot. Bonds5

About 1-cyclopropyl-6,6,6-trifluorohexan-3-ol

1-cyclopropyl-6,6,6-trifluorohexan-3-ol (PubChem CID 79952999) has the molecular formula C9H15F3O and a molecular weight of 196.21 g/mol. Its IUPAC name is 1-cyclopropyl-6,6,6-trifluorohexan-3-ol.

Molecular Properties

Compound Name1-cyclopropyl-6,6,6-trifluorohexan-3-ol
PubChem CID79952999
Molecular FormulaC9H15F3O
Molecular Weight196.21 g/mol
Exact Mass196.11
IUPAC Name1-cyclopropyl-6,6,6-trifluorohexan-3-ol
SMILESOC(CCC1CC1)CCC(F)(F)F
InChIInChI=1S/C9H15F3O/c10-9(11,12)6-5-8(13)4-3-7-1-2-7/h7-8,13H,1-6H2
InChIKeyYKTJYCMRZIFUSU-UHFFFAOYSA-N
XLogP2.88
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-6,6,6-trifluorohexan-3-ol?
The IUPAC name of 1-cyclopropyl-6,6,6-trifluorohexan-3-ol (CID 79952999) is 1-cyclopropyl-6,6,6-trifluorohexan-3-ol.
What is the SMILES notation for 1-cyclopropyl-6,6,6-trifluorohexan-3-ol?
The canonical SMILES for 1-cyclopropyl-6,6,6-trifluorohexan-3-ol is OC(CCC1CC1)CCC(F)(F)F.
What is the InChIKey of 1-cyclopropyl-6,6,6-trifluorohexan-3-ol?
The InChIKey is YKTJYCMRZIFUSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F3O/c10-9(11,12)6-5-8(13)4-3-7-1-2-7/h7-8,13H,1-6H2.
What are the key properties of 1-cyclopropyl-6,6,6-trifluorohexan-3-ol?
1-cyclopropyl-6,6,6-trifluorohexan-3-ol has a molecular weight of 196.21 g/mol, XLogP of 2.88, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-6,6,6-trifluorohexan-3-ol is sourced from PubChem (CID 79952999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).