(1-benzyl-4,4-difluoro-3,3-dimethylpyrrolidin-2-yl)methanol

C14H19F2NO — CID 11843239

IUPAC(1-benzyl-4,4-difluoro-3,3-dimethylpyrrolidin-2-yl)methanol
SMILESCC1(C)C(CO)N(Cc2ccccc2)CC1(F)F
InChIInChI=1S/C14H19F2NO/c1-13(2)12(9-18)17(10-14(13,15)16)8-11-6-4-3-5-7-11/h3-7,12,18H,8-10H2,1-2H3
InChIKeyWSTWJJUXMVOBMQ-UHFFFAOYSA-N
MW255.31 g/mol
LogP2.52
Rot. Bonds3

About (1-benzyl-4,4-difluoro-3,3-dimethylpyrrolidin-2-yl)methanol

(1-benzyl-4,4-difluoro-3,3-dimethylpyrrolidin-2-yl)methanol (PubChem CID 11843239) has the molecular formula C14H19F2NO and a molecular weight of 255.31 g/mol. Its IUPAC name is (1-benzyl-4,4-difluoro-3,3-dimethylpyrrolidin-2-yl)methanol.

Molecular Properties

Compound Name(1-benzyl-4,4-difluoro-3,3-dimethylpyrrolidin-2-yl)methanol
PubChem CID11843239
Molecular FormulaC14H19F2NO
Molecular Weight255.31 g/mol
Exact Mass255.14
IUPAC Name(1-benzyl-4,4-difluoro-3,3-dimethylpyrrolidin-2-yl)methanol
SMILESCC1(C)C(CO)N(Cc2ccccc2)CC1(F)F
InChIInChI=1S/C14H19F2NO/c1-13(2)12(9-18)17(10-14(13,15)16)8-11-6-4-3-5-7-11/h3-7,12,18H,8-10H2,1-2H3
InChIKeyWSTWJJUXMVOBMQ-UHFFFAOYSA-N
XLogP2.52
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.31
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S,3S)-1-benzyl-2,3-dimethylazetidin-3-ol
CID 10774084
[1-benzyl-4-(hydroxymethyl)-3,4-dimethylpyrrolidin-3-yl]methanol
CID 72620554
(1-benzyl-3-fluoroazetidin-3-yl)methanol
CID 146012965
1-benzyl-3,3-difluoro-5,5-dimethylpiperidin-4-ol
CID 131168959
1-benzyl-3,3,4,4-tetrafluoropyrrolidine;hydrochloride
CID 22645922
methyl 7-benzyl-2,2-difluoro-4-oxa-7-azaspiro[2.5]octane-6-carboxylate
CID 168867937
[1-benzyl-4-(hydroxymethyl)-4-methylpyrrolidin-3-yl]methanol
CID 130151390
[(3R,4R)-1-benzyl-4-methyl-4-(trifluoromethyl)pyrrolidin-3-yl]methanol
CID 124678781
[(3S)-2-benzyl-2-azaspiro[4.5]decan-3-yl]methanol
CID 168976217
(1-benzyl-3-methylpyrrolidin-2-yl)methanol
CID 78022490
[(2R,4S)-1-benzyl-4-methylpyrrolidin-2-yl]methanol
CID 23248612
(4S,5R)-3-benzyl-4-(hydroxymethyl)-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-2-one
CID 58605835

Frequently Asked Questions

What is the IUPAC name of (1-benzyl-4,4-difluoro-3,3-dimethylpyrrolidin-2-yl)methanol?
The IUPAC name of (1-benzyl-4,4-difluoro-3,3-dimethylpyrrolidin-2-yl)methanol (CID 11843239) is (1-benzyl-4,4-difluoro-3,3-dimethylpyrrolidin-2-yl)methanol.
What is the SMILES notation for (1-benzyl-4,4-difluoro-3,3-dimethylpyrrolidin-2-yl)methanol?
The canonical SMILES for (1-benzyl-4,4-difluoro-3,3-dimethylpyrrolidin-2-yl)methanol is CC1(C)C(CO)N(Cc2ccccc2)CC1(F)F.
What is the InChIKey of (1-benzyl-4,4-difluoro-3,3-dimethylpyrrolidin-2-yl)methanol?
The InChIKey is WSTWJJUXMVOBMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2NO/c1-13(2)12(9-18)17(10-14(13,15)16)8-11-6-4-3-5-7-11/h3-7,12,18H,8-10H2,1-2H3.
What are the key properties of (1-benzyl-4,4-difluoro-3,3-dimethylpyrrolidin-2-yl)methanol?
(1-benzyl-4,4-difluoro-3,3-dimethylpyrrolidin-2-yl)methanol has a molecular weight of 255.31 g/mol, XLogP of 2.52, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-benzyl-4,4-difluoro-3,3-dimethylpyrrolidin-2-yl)methanol is sourced from PubChem (CID 11843239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).