3-[4-(trifluoromethyl)phenyl]cyclohept-2-en-1-ol

C14H15F3O — CID 107383582

IUPAC3-[4-(trifluoromethyl)phenyl]cyclohept-2-en-1-ol
SMILESOC1C=C(c2ccc(C(F)(F)F)cc2)CCCC1
InChIInChI=1S/C14H15F3O/c15-14(16,17)12-7-5-10(6-8-12)11-3-1-2-4-13(18)9-11/h5-9,13,18H,1-4H2
InChIKeyBNQLDZFXDWOUDM-UHFFFAOYSA-N
MW256.27 g/mol
LogP4.02
Rot. Bonds1

About 3-[4-(trifluoromethyl)phenyl]cyclohept-2-en-1-ol

3-[4-(trifluoromethyl)phenyl]cyclohept-2-en-1-ol (PubChem CID 107383582) has the molecular formula C14H15F3O and a molecular weight of 256.27 g/mol. Its IUPAC name is 3-[4-(trifluoromethyl)phenyl]cyclohept-2-en-1-ol.

Molecular Properties

Compound Name3-[4-(trifluoromethyl)phenyl]cyclohept-2-en-1-ol
PubChem CID107383582
Molecular FormulaC14H15F3O
Molecular Weight256.27 g/mol
Exact Mass256.11
IUPAC Name3-[4-(trifluoromethyl)phenyl]cyclohept-2-en-1-ol
SMILESOC1C=C(c2ccc(C(F)(F)F)cc2)CCCC1
InChIInChI=1S/C14H15F3O/c15-14(16,17)12-7-5-10(6-8-12)11-3-1-2-4-13(18)9-11/h5-9,13,18H,1-4H2
InChIKeyBNQLDZFXDWOUDM-UHFFFAOYSA-N
XLogP4.02
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.27
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(trifluoromethyl)phenyl]cyclohept-2-en-1-ol?
The IUPAC name of 3-[4-(trifluoromethyl)phenyl]cyclohept-2-en-1-ol (CID 107383582) is 3-[4-(trifluoromethyl)phenyl]cyclohept-2-en-1-ol.
What is the SMILES notation for 3-[4-(trifluoromethyl)phenyl]cyclohept-2-en-1-ol?
The canonical SMILES for 3-[4-(trifluoromethyl)phenyl]cyclohept-2-en-1-ol is OC1C=C(c2ccc(C(F)(F)F)cc2)CCCC1.
What is the InChIKey of 3-[4-(trifluoromethyl)phenyl]cyclohept-2-en-1-ol?
The InChIKey is BNQLDZFXDWOUDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3O/c15-14(16,17)12-7-5-10(6-8-12)11-3-1-2-4-13(18)9-11/h5-9,13,18H,1-4H2.
What are the key properties of 3-[4-(trifluoromethyl)phenyl]cyclohept-2-en-1-ol?
3-[4-(trifluoromethyl)phenyl]cyclohept-2-en-1-ol has a molecular weight of 256.27 g/mol, XLogP of 4.02, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(trifluoromethyl)phenyl]cyclohept-2-en-1-ol is sourced from PubChem (CID 107383582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).