2-methyl-3-[[3-(trifluoromethyl)phenyl]methyl]pentan-3-ol

C14H19F3O — CID 65146705

IUPAC2-methyl-3-[[3-(trifluoromethyl)phenyl]methyl]pentan-3-ol
SMILESCCC(O)(Cc1cccc(C(F)(F)F)c1)C(C)C
InChIInChI=1S/C14H19F3O/c1-4-13(18,10(2)3)9-11-6-5-7-12(8-11)14(15,16)17/h5-8,10,18H,4,9H2,1-3H3
InChIKeyPVXIHINFSRYSSJ-UHFFFAOYSA-N
MW260.30 g/mol
LogP4.05
Rot. Bonds4

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

2-methyl-3-[[3-(trifluoromethyl)phenyl]methyl]pentan-3-ol (PubChem CID 65146705) has the molecular formula C14H19F3O and a molecular weight of 260.30 g/mol. Its IUPAC name is 2-methyl-3-[[3-(trifluoromethyl)phenyl]methyl]pentan-3-ol.

Molecular Properties

Compound Name2-methyl-3-[[3-(trifluoromethyl)phenyl]methyl]pentan-3-ol
PubChem CID65146705
Molecular FormulaC14H19F3O
Molecular Weight260.30 g/mol
Exact Mass260.14
IUPAC Name2-methyl-3-[[3-(trifluoromethyl)phenyl]methyl]pentan-3-ol
SMILESCCC(O)(Cc1cccc(C(F)(F)F)c1)C(C)C
InChIInChI=1S/C14H19F3O/c1-4-13(18,10(2)3)9-11-6-5-7-12(8-11)14(15,16)17/h5-8,10,18H,4,9H2,1-3H3
InChIKeyPVXIHINFSRYSSJ-UHFFFAOYSA-N
XLogP4.05
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-phenyl-1-[3-(trifluoromethyl)phenyl]butan-2-ol
CID 65146789
3-methyl-1-[3-(trifluoromethyl)phenyl]hexan-2-ol
CID 65149566
2-methyl-1-(propan-2-ylamino)-3-[3-(trifluoromethyl)phenyl]propan-2-ol
CID 66037251
2-ethyl-2-[[3-(trifluoromethyl)phenyl]methyl]butan-1-amine
CID 62723896
2-ethyl-2-[[3-(trifluoromethyl)phenyl]methyl]butanenitrile
CID 155351066
1-[3-(trifluoromethyl)phenyl]heptan-4-ol
CID 64513695
1-[3-(trifluoromethyl)phenyl]heptan-2-ol
CID 65149247
2-[3-(2,2,2-trifluoroethyl)phenyl]propan-2-ol
CID 117310696
1-(1,1,2,2-tetradeuteriopropyl)-3-(trifluoromethyl)benzene
CID 58227067
2-(4-bromophenyl)-1-[3-(trifluoromethyl)phenyl]propan-2-ol
CID 65145339
2-methyl-2-[[3-(trifluoromethyl)phenyl]methyl]pentan-1-ol
CID 66025237
3-methoxy-1-[3-(trifluoromethyl)phenyl]butan-2-ol
CID 79617375

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[[3-(trifluoromethyl)phenyl]methyl]pentan-3-ol?
The IUPAC name of 2-methyl-3-[[3-(trifluoromethyl)phenyl]methyl]pentan-3-ol (CID 65146705) is 2-methyl-3-[[3-(trifluoromethyl)phenyl]methyl]pentan-3-ol.
What is the SMILES notation for 2-methyl-3-[[3-(trifluoromethyl)phenyl]methyl]pentan-3-ol?
The canonical SMILES for 2-methyl-3-[[3-(trifluoromethyl)phenyl]methyl]pentan-3-ol is CCC(O)(Cc1cccc(C(F)(F)F)c1)C(C)C.
What is the InChIKey of 2-methyl-3-[[3-(trifluoromethyl)phenyl]methyl]pentan-3-ol?
The InChIKey is PVXIHINFSRYSSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3O/c1-4-13(18,10(2)3)9-11-6-5-7-12(8-11)14(15,16)17/h5-8,10,18H,4,9H2,1-3H3.
What are the key properties of 2-methyl-3-[[3-(trifluoromethyl)phenyl]methyl]pentan-3-ol?
2-methyl-3-[[3-(trifluoromethyl)phenyl]methyl]pentan-3-ol has a molecular weight of 260.30 g/mol, XLogP of 4.05, 4 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]methyl]pentan-3-ol is sourced from PubChem (CID 65146705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).