3-[3-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]propan-1-ol

C10H13F3O — CID 163992983

IUPAC3-[3-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]propan-1-ol
SMILESOCCCC1=CC(C(F)(F)F)CC=C1
InChIInChI=1S/C10H13F3O/c11-10(12,13)9-5-1-3-8(7-9)4-2-6-14/h1,3,7,9,14H,2,4-6H2
InChIKeyUCGYFPPVDZLHBE-UHFFFAOYSA-N
MW206.21 g/mol
LogP2.82
Rot. Bonds3

About 3-[3-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]propan-1-ol

3-[3-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]propan-1-ol (PubChem CID 163992983) has the molecular formula C10H13F3O and a molecular weight of 206.21 g/mol. Its IUPAC name is 3-[3-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]propan-1-ol.

Molecular Properties

Compound Name3-[3-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]propan-1-ol
PubChem CID163992983
Molecular FormulaC10H13F3O
Molecular Weight206.21 g/mol
Exact Mass206.09
IUPAC Name3-[3-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]propan-1-ol
SMILESOCCCC1=CC(C(F)(F)F)CC=C1
InChIInChI=1S/C10H13F3O/c11-10(12,13)9-5-1-3-8(7-9)4-2-6-14/h1,3,7,9,14H,2,4-6H2
InChIKeyUCGYFPPVDZLHBE-UHFFFAOYSA-N
XLogP2.82
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.21
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]propan-1-ol?
The IUPAC name of 3-[3-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]propan-1-ol (CID 163992983) is 3-[3-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]propan-1-ol.
What is the SMILES notation for 3-[3-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]propan-1-ol?
The canonical SMILES for 3-[3-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]propan-1-ol is OCCCC1=CC(C(F)(F)F)CC=C1.
What is the InChIKey of 3-[3-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]propan-1-ol?
The InChIKey is UCGYFPPVDZLHBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3O/c11-10(12,13)9-5-1-3-8(7-9)4-2-6-14/h1,3,7,9,14H,2,4-6H2.
What are the key properties of 3-[3-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]propan-1-ol?
3-[3-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]propan-1-ol has a molecular weight of 206.21 g/mol, XLogP of 2.82, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]propan-1-ol is sourced from PubChem (CID 163992983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).