2-methyl-3-[3-(trifluoromethyl)phenyl]cyclobutan-1-ol

C12H13F3O — CID 81415478

IUPAC2-methyl-3-[3-(trifluoromethyl)phenyl]cyclobutan-1-ol
SMILESCC1C(O)CC1c1cccc(C(F)(F)F)c1
InChIInChI=1S/C12H13F3O/c1-7-10(6-11(7)16)8-3-2-4-9(5-8)12(13,14)15/h2-5,7,10-11,16H,6H2,1H3
InChIKeyQAZBFUPZLKXQJC-UHFFFAOYSA-N
MW230.23 g/mol
LogP3.19
Rot. Bonds1

About 2-methyl-3-[3-(trifluoromethyl)phenyl]cyclobutan-1-ol

2-methyl-3-[3-(trifluoromethyl)phenyl]cyclobutan-1-ol (PubChem CID 81415478) has the molecular formula C12H13F3O and a molecular weight of 230.23 g/mol. Its IUPAC name is 2-methyl-3-[3-(trifluoromethyl)phenyl]cyclobutan-1-ol.

Molecular Properties

Compound Name2-methyl-3-[3-(trifluoromethyl)phenyl]cyclobutan-1-ol
PubChem CID81415478
Molecular FormulaC12H13F3O
Molecular Weight230.23 g/mol
Exact Mass230.09
IUPAC Name2-methyl-3-[3-(trifluoromethyl)phenyl]cyclobutan-1-ol
SMILESCC1C(O)CC1c1cccc(C(F)(F)F)c1
InChIInChI=1S/C12H13F3O/c1-7-10(6-11(7)16)8-3-2-4-9(5-8)12(13,14)15/h2-5,7,10-11,16H,6H2,1H3
InChIKeyQAZBFUPZLKXQJC-UHFFFAOYSA-N
XLogP3.19
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.23
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N,2-dimethyl-3-[3-(trifluoromethyl)phenyl]cyclobutan-1-amine
CID 81417477
2-methyl-3-[3-(trifluoromethoxy)phenyl]cyclobutan-1-ol
CID 81416661
trans-ethyl (1S,2S)-2-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxylate
CID 90226075
ethyl 2-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxylate
CID 57429659
[(1R,2S)-2-[3-(trifluoromethyl)phenyl]cyclopropyl]methanamine
CID 94557656
[(1S,2R)-2-[3-(trifluoromethyl)phenyl]cyclopropyl]methanamine
CID 94557654
2-[ethyl-[2-[3-(trifluoromethyl)phenyl]cyclopropanecarbonyl]amino]acetic acid
CID 119206122
1-cyclopropyl-3-(trifluoromethyl)benzene
CID 12509713
methyl 2-[(1R,2S)-2-[3-(trifluoromethyl)phenyl]cyclopropyl]acetate
CID 101035785
4-tert-butyl-2-[3-(trifluoromethyl)phenyl]cyclohexan-1-amine
CID 81013148
cis-(1S,2R)-N-propan-2-ylsulfonyl-2-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 96523459
(1S)-4-chloro-N,N-dimethyl-3-[3-(trifluoromethyl)phenyl]cyclohexan-1-amine
CID 175074556

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[3-(trifluoromethyl)phenyl]cyclobutan-1-ol?
The IUPAC name of 2-methyl-3-[3-(trifluoromethyl)phenyl]cyclobutan-1-ol (CID 81415478) is 2-methyl-3-[3-(trifluoromethyl)phenyl]cyclobutan-1-ol.
What is the SMILES notation for 2-methyl-3-[3-(trifluoromethyl)phenyl]cyclobutan-1-ol?
The canonical SMILES for 2-methyl-3-[3-(trifluoromethyl)phenyl]cyclobutan-1-ol is CC1C(O)CC1c1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-methyl-3-[3-(trifluoromethyl)phenyl]cyclobutan-1-ol?
The InChIKey is QAZBFUPZLKXQJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F3O/c1-7-10(6-11(7)16)8-3-2-4-9(5-8)12(13,14)15/h2-5,7,10-11,16H,6H2,1H3.
What are the key properties of 2-methyl-3-[3-(trifluoromethyl)phenyl]cyclobutan-1-ol?
2-methyl-3-[3-(trifluoromethyl)phenyl]cyclobutan-1-ol has a molecular weight of 230.23 g/mol, XLogP of 3.19, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[3-(trifluoromethyl)phenyl]cyclobutan-1-ol is sourced from PubChem (CID 81415478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).