4-(oxolan-2-yl)-1-[2-(trifluoromethyl)cyclohexyl]butan-1-ol

C15H25F3O2 — CID 105104784

IUPAC4-(oxolan-2-yl)-1-[2-(trifluoromethyl)cyclohexyl]butan-1-ol
SMILESOC(CCCC1CCCO1)C1CCCCC1C(F)(F)F
InChIInChI=1S/C15H25F3O2/c16-15(17,18)13-8-2-1-7-12(13)14(19)9-3-5-11-6-4-10-20-11/h11-14,19H,1-10H2
InChIKeyWBBCCUYRKOFDHT-UHFFFAOYSA-N
MW294.36 g/mol
LogP4.07
Rot. Bonds5

About 4-(oxolan-2-yl)-1-[2-(trifluoromethyl)cyclohexyl]butan-1-ol

4-(oxolan-2-yl)-1-[2-(trifluoromethyl)cyclohexyl]butan-1-ol (PubChem CID 105104784) has the molecular formula C15H25F3O2 and a molecular weight of 294.36 g/mol. Its IUPAC name is 4-(oxolan-2-yl)-1-[2-(trifluoromethyl)cyclohexyl]butan-1-ol.

Molecular Properties

Compound Name4-(oxolan-2-yl)-1-[2-(trifluoromethyl)cyclohexyl]butan-1-ol
PubChem CID105104784
Molecular FormulaC15H25F3O2
Molecular Weight294.36 g/mol
Exact Mass294.18
IUPAC Name4-(oxolan-2-yl)-1-[2-(trifluoromethyl)cyclohexyl]butan-1-ol
SMILESOC(CCCC1CCCO1)C1CCCCC1C(F)(F)F
InChIInChI=1S/C15H25F3O2/c16-15(17,18)13-8-2-1-7-12(13)14(19)9-3-5-11-6-4-10-20-11/h11-14,19H,1-10H2
InChIKeyWBBCCUYRKOFDHT-UHFFFAOYSA-N
XLogP4.07
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(1,1,1-Trifluoro-2-methoxypropan-2-yl)cyclohexan-1-ol
CID 21252674
2,2-difluoro-4-[(4S)-4-methyloxolan-2-yl]butan-1-ol
CID 156279984
[(3R,3aR,4R,5S,7aR)-6,6-difluoro-3,5-dimethyl-3,3a,4,5,7,7a-hexahydro-1H-2-benzofuran-4-yl]methanol
CID 174355088
cis-(1R,2R)-2-[(2R)-1,1,1-trifluoro-4-hydroxybutan-2-yl]cyclohexan-1-ol
CID 10013922
trans-(1S,2R)-2-[(2R)-1,1,1-trifluoro-4-hydroxybutan-2-yl]cyclohexan-1-ol
CID 10105099
4-Ethyl-2-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexan-1-ol
CID 61748615
2-[3-(2,2,2-Trifluoroethoxy)propyl]cyclohexan-1-ol
CID 61748804
4-Methyl-2-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexan-1-ol
CID 61750755
4-Propyl-2-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexan-1-ol
CID 61751149
4-Propan-2-yl-2-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexan-1-ol
CID 62739187
1-[3-(Oxolan-2-yl)propyl]-4-(trifluoromethyl)cyclohexan-1-ol
CID 65162407
1-[3-(Oxolan-2-yl)propyl]-3-(trifluoromethyl)cyclohexan-1-ol
CID 65162409

Frequently Asked Questions

What is the IUPAC name of 4-(oxolan-2-yl)-1-[2-(trifluoromethyl)cyclohexyl]butan-1-ol?
The IUPAC name of 4-(oxolan-2-yl)-1-[2-(trifluoromethyl)cyclohexyl]butan-1-ol (CID 105104784) is 4-(oxolan-2-yl)-1-[2-(trifluoromethyl)cyclohexyl]butan-1-ol.
What is the SMILES notation for 4-(oxolan-2-yl)-1-[2-(trifluoromethyl)cyclohexyl]butan-1-ol?
The canonical SMILES for 4-(oxolan-2-yl)-1-[2-(trifluoromethyl)cyclohexyl]butan-1-ol is OC(CCCC1CCCO1)C1CCCCC1C(F)(F)F.
What is the InChIKey of 4-(oxolan-2-yl)-1-[2-(trifluoromethyl)cyclohexyl]butan-1-ol?
The InChIKey is WBBCCUYRKOFDHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25F3O2/c16-15(17,18)13-8-2-1-7-12(13)14(19)9-3-5-11-6-4-10-20-11/h11-14,19H,1-10H2.
What are the key properties of 4-(oxolan-2-yl)-1-[2-(trifluoromethyl)cyclohexyl]butan-1-ol?
4-(oxolan-2-yl)-1-[2-(trifluoromethyl)cyclohexyl]butan-1-ol has a molecular weight of 294.36 g/mol, XLogP of 4.07, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(oxolan-2-yl)-1-[2-(trifluoromethyl)cyclohexyl]butan-1-ol is sourced from PubChem (CID 105104784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).