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

C14H19F3O — CID 66025237

IUPAC2-methyl-2-[[3-(trifluoromethyl)phenyl]methyl]pentan-1-ol
SMILESCCCC(C)(CO)Cc1cccc(C(F)(F)F)c1
InChIInChI=1S/C14H19F3O/c1-3-7-13(2,10-18)9-11-5-4-6-12(8-11)14(15,16)17/h4-6,8,18H,3,7,9-10H2,1-2H3
InChIKeyKNQWNBNPSIFDDL-UHFFFAOYSA-N
MW260.30 g/mol
LogP4.05
Rot. Bonds5

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

2-methyl-2-[[3-(trifluoromethyl)phenyl]methyl]pentan-1-ol (PubChem CID 66025237) has the molecular formula C14H19F3O and a molecular weight of 260.30 g/mol. Its IUPAC name is 2-methyl-2-[[3-(trifluoromethyl)phenyl]methyl]pentan-1-ol.

Molecular Properties

Compound Name2-methyl-2-[[3-(trifluoromethyl)phenyl]methyl]pentan-1-ol
PubChem CID66025237
Molecular FormulaC14H19F3O
Molecular Weight260.30 g/mol
Exact Mass260.14
IUPAC Name2-methyl-2-[[3-(trifluoromethyl)phenyl]methyl]pentan-1-ol
SMILESCCCC(C)(CO)Cc1cccc(C(F)(F)F)c1
InChIInChI=1S/C14H19F3O/c1-3-7-13(2,10-18)9-11-5-4-6-12(8-11)14(15,16)17/h4-6,8,18H,3,7,9-10H2,1-2H3
InChIKeyKNQWNBNPSIFDDL-UHFFFAOYSA-N
XLogP4.05
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
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-[[3-(trifluoromethyl)phenyl]methyl]butan-1-ol
CID 66058572
2-phenyl-1-[3-(trifluoromethyl)phenyl]butan-2-ol
CID 65146789
N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]hydroxylamine
CID 105456998
3-[3-(trifluoromethyl)phenyl]propan-1-ol
CID 18755618
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-3-[[3-(trifluoromethyl)phenyl]methyl]pentan-3-ol
CID 65146705
1-[3-(trifluoromethyl)phenyl]hexan-3-ol
CID 55134975
1-(2,2,3,3,3-pentafluoropropyl)-3-(trifluoromethyl)benzene
CID 139245537
2-ethyl-2-[[3-(trifluoromethyl)phenyl]methyl]butan-1-amine
CID 62723896
1-(2,2-difluoro-3-methoxypentyl)-3-(trifluoromethyl)benzene
CID 54277756
2-methyl-2-[(3-methylphenyl)methyl]propane-1,3-diol
CID 79001727

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[[3-(trifluoromethyl)phenyl]methyl]pentan-1-ol?
The IUPAC name of 2-methyl-2-[[3-(trifluoromethyl)phenyl]methyl]pentan-1-ol (CID 66025237) is 2-methyl-2-[[3-(trifluoromethyl)phenyl]methyl]pentan-1-ol.
What is the SMILES notation for 2-methyl-2-[[3-(trifluoromethyl)phenyl]methyl]pentan-1-ol?
The canonical SMILES for 2-methyl-2-[[3-(trifluoromethyl)phenyl]methyl]pentan-1-ol is CCCC(C)(CO)Cc1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-methyl-2-[[3-(trifluoromethyl)phenyl]methyl]pentan-1-ol?
The InChIKey is KNQWNBNPSIFDDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3O/c1-3-7-13(2,10-18)9-11-5-4-6-12(8-11)14(15,16)17/h4-6,8,18H,3,7,9-10H2,1-2H3.
What are the key properties of 2-methyl-2-[[3-(trifluoromethyl)phenyl]methyl]pentan-1-ol?
2-methyl-2-[[3-(trifluoromethyl)phenyl]methyl]pentan-1-ol has a molecular weight of 260.30 g/mol, XLogP of 4.05, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[[3-(trifluoromethyl)phenyl]methyl]pentan-1-ol is sourced from PubChem (CID 66025237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).