1-(cyclohepten-1-yl)-3,3,3-trifluoropropan-1-ol

C10H15F3O — CID 62078750

IUPAC1-(cyclohepten-1-yl)-3,3,3-trifluoropropan-1-ol
SMILESOC(CC(F)(F)F)C1=CCCCCC1
InChIInChI=1S/C10H15F3O/c11-10(12,13)7-9(14)8-5-3-1-2-4-6-8/h5,9,14H,1-4,6-7H2
InChIKeyBMGMJTSCPHMVOR-UHFFFAOYSA-N
MW208.22 g/mol
LogP3.19
Rot. Bonds2

About 1-(cyclohepten-1-yl)-3,3,3-trifluoropropan-1-ol

1-(cyclohepten-1-yl)-3,3,3-trifluoropropan-1-ol (PubChem CID 62078750) has the molecular formula C10H15F3O and a molecular weight of 208.22 g/mol. Its IUPAC name is 1-(cyclohepten-1-yl)-3,3,3-trifluoropropan-1-ol.

Molecular Properties

Compound Name1-(cyclohepten-1-yl)-3,3,3-trifluoropropan-1-ol
PubChem CID62078750
Molecular FormulaC10H15F3O
Molecular Weight208.22 g/mol
Exact Mass208.11
IUPAC Name1-(cyclohepten-1-yl)-3,3,3-trifluoropropan-1-ol
SMILESOC(CC(F)(F)F)C1=CCCCCC1
InChIInChI=1S/C10H15F3O/c11-10(12,13)7-9(14)8-5-3-1-2-4-6-8/h5,9,14H,1-4,6-7H2
InChIKeyBMGMJTSCPHMVOR-UHFFFAOYSA-N
XLogP3.19
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.22
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclohepten-1-yl)-3,3,3-trifluoropropan-1-ol?
The IUPAC name of 1-(cyclohepten-1-yl)-3,3,3-trifluoropropan-1-ol (CID 62078750) is 1-(cyclohepten-1-yl)-3,3,3-trifluoropropan-1-ol.
What is the SMILES notation for 1-(cyclohepten-1-yl)-3,3,3-trifluoropropan-1-ol?
The canonical SMILES for 1-(cyclohepten-1-yl)-3,3,3-trifluoropropan-1-ol is OC(CC(F)(F)F)C1=CCCCCC1.
What is the InChIKey of 1-(cyclohepten-1-yl)-3,3,3-trifluoropropan-1-ol?
The InChIKey is BMGMJTSCPHMVOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3O/c11-10(12,13)7-9(14)8-5-3-1-2-4-6-8/h5,9,14H,1-4,6-7H2.
What are the key properties of 1-(cyclohepten-1-yl)-3,3,3-trifluoropropan-1-ol?
1-(cyclohepten-1-yl)-3,3,3-trifluoropropan-1-ol has a molecular weight of 208.22 g/mol, XLogP of 3.19, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohepten-1-yl)-3,3,3-trifluoropropan-1-ol is sourced from PubChem (CID 62078750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).