[4-fluoro-1-(2-methylpropyl)pyrrolidin-2-yl]methanol

C9H18FNO — CID 130709579

IUPAC[4-fluoro-1-(2-methylpropyl)pyrrolidin-2-yl]methanol
SMILESCC(C)CN1CC(F)CC1CO
InChIInChI=1S/C9H18FNO/c1-7(2)4-11-5-8(10)3-9(11)6-12/h7-9,12H,3-6H2,1-2H3
InChIKeyAUKNJWQFRIYKCW-UHFFFAOYSA-N
MW175.25 g/mol
LogP1.05
Rot. Bonds3

About [4-fluoro-1-(2-methylpropyl)pyrrolidin-2-yl]methanol

[4-fluoro-1-(2-methylpropyl)pyrrolidin-2-yl]methanol (PubChem CID 130709579) has the molecular formula C9H18FNO and a molecular weight of 175.25 g/mol. Its IUPAC name is [4-fluoro-1-(2-methylpropyl)pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[4-fluoro-1-(2-methylpropyl)pyrrolidin-2-yl]methanol
PubChem CID130709579
Molecular FormulaC9H18FNO
Molecular Weight175.25 g/mol
Exact Mass175.14
IUPAC Name[4-fluoro-1-(2-methylpropyl)pyrrolidin-2-yl]methanol
SMILESCC(C)CN1CC(F)CC1CO
InChIInChI=1S/C9H18FNO/c1-7(2)4-11-5-8(10)3-9(11)6-12/h7-9,12H,3-6H2,1-2H3
InChIKeyAUKNJWQFRIYKCW-UHFFFAOYSA-N
XLogP1.05
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.25
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-Methyl-2-pyrrolidinemethanol
CID 97836
(2S)-1-Methyl-2-pyrrolidinemethanol
CID 643492
[(2S)-1-Ethyl-2-Pyrrolidinyl]Methanol
CID 952319
((2R)-1-methylpyrrolidin-2-yl)methanol
CID 11007868
((2S)-1-(cyclopropylmethyl)pyrrolidin-2-yl)methanol
CID 952314
((2R)-1-ethylpyrrolidin-2-yl)methanol
CID 952320
(1-Propylpyrrolidin-2-yl)methanol
CID 23383549
((2S)-1-(2-methoxyethyl)pyrrolidin-2-yl)methanol
CID 59701827
[(2S)-1-(2,2-difluoroethyl)pyrrolidin-2-yl]methanol
CID 64104040
[(2S)-1-(2,2,2-trifluoroethyl)pyrrolidin-2-yl]methanol
CID 121597861
[1-(Cyclopropylmethyl)-2-pyrrolidinyl]methanol
CID 4207620
(1-Ethylpyrrolidin-2-yl)methanol
CID 259087

Frequently Asked Questions

What is the IUPAC name of [4-fluoro-1-(2-methylpropyl)pyrrolidin-2-yl]methanol?
The IUPAC name of [4-fluoro-1-(2-methylpropyl)pyrrolidin-2-yl]methanol (CID 130709579) is [4-fluoro-1-(2-methylpropyl)pyrrolidin-2-yl]methanol.
What is the SMILES notation for [4-fluoro-1-(2-methylpropyl)pyrrolidin-2-yl]methanol?
The canonical SMILES for [4-fluoro-1-(2-methylpropyl)pyrrolidin-2-yl]methanol is CC(C)CN1CC(F)CC1CO.
What is the InChIKey of [4-fluoro-1-(2-methylpropyl)pyrrolidin-2-yl]methanol?
The InChIKey is AUKNJWQFRIYKCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18FNO/c1-7(2)4-11-5-8(10)3-9(11)6-12/h7-9,12H,3-6H2,1-2H3.
What are the key properties of [4-fluoro-1-(2-methylpropyl)pyrrolidin-2-yl]methanol?
[4-fluoro-1-(2-methylpropyl)pyrrolidin-2-yl]methanol has a molecular weight of 175.25 g/mol, XLogP of 1.05, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-fluoro-1-(2-methylpropyl)pyrrolidin-2-yl]methanol is sourced from PubChem (CID 130709579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).