1-[3-fluoro-4-(trifluoromethyl)phenyl]-3-propan-2-ylcyclobutan-1-ol

C14H16F4O — CID 107287922

IUPAC1-[3-fluoro-4-(trifluoromethyl)phenyl]-3-propan-2-ylcyclobutan-1-ol
SMILESCC(C)C1CC(O)(c2ccc(C(F)(F)F)c(F)c2)C1
InChIInChI=1S/C14H16F4O/c1-8(2)9-6-13(19,7-9)10-3-4-11(12(15)5-10)14(16,17)18/h3-5,8-9,19H,6-7H2,1-2H3
InChIKeyCBAPOCXOOWQTOR-UHFFFAOYSA-N
MW276.27 g/mol
LogP4.10
Rot. Bonds2

About 1-[3-fluoro-4-(trifluoromethyl)phenyl]-3-propan-2-ylcyclobutan-1-ol

1-[3-fluoro-4-(trifluoromethyl)phenyl]-3-propan-2-ylcyclobutan-1-ol (PubChem CID 107287922) has the molecular formula C14H16F4O and a molecular weight of 276.27 g/mol. Its IUPAC name is 1-[3-fluoro-4-(trifluoromethyl)phenyl]-3-propan-2-ylcyclobutan-1-ol.

Molecular Properties

Compound Name1-[3-fluoro-4-(trifluoromethyl)phenyl]-3-propan-2-ylcyclobutan-1-ol
PubChem CID107287922
Molecular FormulaC14H16F4O
Molecular Weight276.27 g/mol
Exact Mass276.11
IUPAC Name1-[3-fluoro-4-(trifluoromethyl)phenyl]-3-propan-2-ylcyclobutan-1-ol
SMILESCC(C)C1CC(O)(c2ccc(C(F)(F)F)c(F)c2)C1
InChIInChI=1S/C14H16F4O/c1-8(2)9-6-13(19,7-9)10-3-4-11(12(15)5-10)14(16,17)18/h3-5,8-9,19H,6-7H2,1-2H3
InChIKeyCBAPOCXOOWQTOR-UHFFFAOYSA-N
XLogP4.10
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.27
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[3-fluoro-4-(trifluoromethyl)phenyl]-3-propan-2-ylcyclobutan-1-ol?
The IUPAC name of 1-[3-fluoro-4-(trifluoromethyl)phenyl]-3-propan-2-ylcyclobutan-1-ol (CID 107287922) is 1-[3-fluoro-4-(trifluoromethyl)phenyl]-3-propan-2-ylcyclobutan-1-ol.
What is the SMILES notation for 1-[3-fluoro-4-(trifluoromethyl)phenyl]-3-propan-2-ylcyclobutan-1-ol?
The canonical SMILES for 1-[3-fluoro-4-(trifluoromethyl)phenyl]-3-propan-2-ylcyclobutan-1-ol is CC(C)C1CC(O)(c2ccc(C(F)(F)F)c(F)c2)C1.
What is the InChIKey of 1-[3-fluoro-4-(trifluoromethyl)phenyl]-3-propan-2-ylcyclobutan-1-ol?
The InChIKey is CBAPOCXOOWQTOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F4O/c1-8(2)9-6-13(19,7-9)10-3-4-11(12(15)5-10)14(16,17)18/h3-5,8-9,19H,6-7H2,1-2H3.
What are the key properties of 1-[3-fluoro-4-(trifluoromethyl)phenyl]-3-propan-2-ylcyclobutan-1-ol?
1-[3-fluoro-4-(trifluoromethyl)phenyl]-3-propan-2-ylcyclobutan-1-ol has a molecular weight of 276.27 g/mol, XLogP of 4.10, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-fluoro-4-(trifluoromethyl)phenyl]-3-propan-2-ylcyclobutan-1-ol is sourced from PubChem (CID 107287922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).