2-propyl-1-[2-(trifluoromethyl)cyclohexyl]cyclopropan-1-ol

C13H21F3O — CID 113434006

IUPAC2-propyl-1-[2-(trifluoromethyl)cyclohexyl]cyclopropan-1-ol
SMILESCCCC1CC1(O)C1CCCCC1C(F)(F)F
InChIInChI=1S/C13H21F3O/c1-2-5-9-8-12(9,17)10-6-3-4-7-11(10)13(14,15)16/h9-11,17H,2-8H2,1H3
InChIKeyQNOHGUKTWWSIJO-UHFFFAOYSA-N
MW250.30 g/mol
LogP3.91
Rot. Bonds3

About 2-propyl-1-[2-(trifluoromethyl)cyclohexyl]cyclopropan-1-ol

2-propyl-1-[2-(trifluoromethyl)cyclohexyl]cyclopropan-1-ol (PubChem CID 113434006) has the molecular formula C13H21F3O and a molecular weight of 250.30 g/mol. Its IUPAC name is 2-propyl-1-[2-(trifluoromethyl)cyclohexyl]cyclopropan-1-ol.

Molecular Properties

Compound Name2-propyl-1-[2-(trifluoromethyl)cyclohexyl]cyclopropan-1-ol
PubChem CID113434006
Molecular FormulaC13H21F3O
Molecular Weight250.30 g/mol
Exact Mass250.15
IUPAC Name2-propyl-1-[2-(trifluoromethyl)cyclohexyl]cyclopropan-1-ol
SMILESCCCC1CC1(O)C1CCCCC1C(F)(F)F
InChIInChI=1S/C13H21F3O/c1-2-5-9-8-12(9,17)10-6-3-4-7-11(10)13(14,15)16/h9-11,17H,2-8H2,1H3
InChIKeyQNOHGUKTWWSIJO-UHFFFAOYSA-N
XLogP3.91
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-propyl-1-[2-(trifluoromethyl)cyclohexyl]cyclopropan-1-ol?
The IUPAC name of 2-propyl-1-[2-(trifluoromethyl)cyclohexyl]cyclopropan-1-ol (CID 113434006) is 2-propyl-1-[2-(trifluoromethyl)cyclohexyl]cyclopropan-1-ol.
What is the SMILES notation for 2-propyl-1-[2-(trifluoromethyl)cyclohexyl]cyclopropan-1-ol?
The canonical SMILES for 2-propyl-1-[2-(trifluoromethyl)cyclohexyl]cyclopropan-1-ol is CCCC1CC1(O)C1CCCCC1C(F)(F)F.
What is the InChIKey of 2-propyl-1-[2-(trifluoromethyl)cyclohexyl]cyclopropan-1-ol?
The InChIKey is QNOHGUKTWWSIJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21F3O/c1-2-5-9-8-12(9,17)10-6-3-4-7-11(10)13(14,15)16/h9-11,17H,2-8H2,1H3.
What are the key properties of 2-propyl-1-[2-(trifluoromethyl)cyclohexyl]cyclopropan-1-ol?
2-propyl-1-[2-(trifluoromethyl)cyclohexyl]cyclopropan-1-ol has a molecular weight of 250.30 g/mol, XLogP of 3.91, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propyl-1-[2-(trifluoromethyl)cyclohexyl]cyclopropan-1-ol is sourced from PubChem (CID 113434006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).