[4-[[3,3-bis(trifluoromethyl)pyrrolidin-1-yl]methyl]phenyl]methanol

C14H15F6NO — CID 110009060

IUPAC[4-[[3,3-bis(trifluoromethyl)pyrrolidin-1-yl]methyl]phenyl]methanol
SMILESOCc1ccc(CN2CCC(C(F)(F)F)(C(F)(F)F)C2)cc1
InChIInChI=1S/C14H15F6NO/c15-13(16,17)12(14(18,19)20)5-6-21(9-12)7-10-1-3-11(8-22)4-2-10/h1-4,22H,5-9H2
InChIKeyRQVJMFFISYYVFS-UHFFFAOYSA-N
MW327.27 g/mol
LogP3.50
Rot. Bonds3

About [4-[[3,3-bis(trifluoromethyl)pyrrolidin-1-yl]methyl]phenyl]methanol

[4-[[3,3-bis(trifluoromethyl)pyrrolidin-1-yl]methyl]phenyl]methanol (PubChem CID 110009060) has the molecular formula C14H15F6NO and a molecular weight of 327.27 g/mol. Its IUPAC name is [4-[[3,3-bis(trifluoromethyl)pyrrolidin-1-yl]methyl]phenyl]methanol.

Molecular Properties

Compound Name[4-[[3,3-bis(trifluoromethyl)pyrrolidin-1-yl]methyl]phenyl]methanol
PubChem CID110009060
Molecular FormulaC14H15F6NO
Molecular Weight327.27 g/mol
Exact Mass327.11
IUPAC Name[4-[[3,3-bis(trifluoromethyl)pyrrolidin-1-yl]methyl]phenyl]methanol
SMILESOCc1ccc(CN2CCC(C(F)(F)F)(C(F)(F)F)C2)cc1
InChIInChI=1S/C14H15F6NO/c15-13(16,17)12(14(18,19)20)5-6-21(9-12)7-10-1-3-11(8-22)4-2-10/h1-4,22H,5-9H2
InChIKeyRQVJMFFISYYVFS-UHFFFAOYSA-N
XLogP3.50
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.27
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[[3,3-bis(trifluoromethyl)pyrrolidin-1-yl]methyl]pyridin-2-amine
CID 155949375
2-[3,3-bis(trifluoromethyl)pyrrolidin-1-yl]-1-[4-(thiophen-3-ylmethyl)piperazin-1-yl]ethanone
CID 86966576
1-benzyl-3-(trifluoromethyl)pyrrolidin-3-amine
CID 53403180
1-[(4-fluorophenyl)methyl]-3-methylpyrrolidin-3-ol
CID 103728801
tert-butyl 7-[[4-(hydroxymethyl)phenyl]methyl]-2,7-diazaspiro[3.5]nonane-2-carboxylate
CID 162353689
[4-[(2,2,6,6-tetramethylmorpholin-4-yl)methyl]phenyl]methanol
CID 102745130
(2S)-2-[[(3S)-1-benzyl-3-(trifluoromethyl)pyrrolidine-3-carbonyl]amino]propanoic acid
CID 124693393
1-[(3-chloro-4-hydroxyphenyl)methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 65061313
4-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-ol
CID 80702504
1-[(3-bromo-4-chlorophenyl)methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 83233578
[4-[(2,2-dimethyl-1-oxo-1,4-thiazinan-4-yl)methyl]phenyl]methanol
CID 110009271
[4-[(3-amino-3-propan-2-ylazetidin-1-yl)methyl]phenyl]methanol
CID 113365953

Frequently Asked Questions

What is the IUPAC name of [4-[[3,3-bis(trifluoromethyl)pyrrolidin-1-yl]methyl]phenyl]methanol?
The IUPAC name of [4-[[3,3-bis(trifluoromethyl)pyrrolidin-1-yl]methyl]phenyl]methanol (CID 110009060) is [4-[[3,3-bis(trifluoromethyl)pyrrolidin-1-yl]methyl]phenyl]methanol.
What is the SMILES notation for [4-[[3,3-bis(trifluoromethyl)pyrrolidin-1-yl]methyl]phenyl]methanol?
The canonical SMILES for [4-[[3,3-bis(trifluoromethyl)pyrrolidin-1-yl]methyl]phenyl]methanol is OCc1ccc(CN2CCC(C(F)(F)F)(C(F)(F)F)C2)cc1.
What is the InChIKey of [4-[[3,3-bis(trifluoromethyl)pyrrolidin-1-yl]methyl]phenyl]methanol?
The InChIKey is RQVJMFFISYYVFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F6NO/c15-13(16,17)12(14(18,19)20)5-6-21(9-12)7-10-1-3-11(8-22)4-2-10/h1-4,22H,5-9H2.
What are the key properties of [4-[[3,3-bis(trifluoromethyl)pyrrolidin-1-yl]methyl]phenyl]methanol?
[4-[[3,3-bis(trifluoromethyl)pyrrolidin-1-yl]methyl]phenyl]methanol has a molecular weight of 327.27 g/mol, XLogP of 3.50, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[3,3-bis(trifluoromethyl)pyrrolidin-1-yl]methyl]phenyl]methanol is sourced from PubChem (CID 110009060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).