(3R)-2,2-difluoro-3-methyl-4-pyridin-2-ylbutan-1-ol

C10H13F2NO — CID 145217845

IUPAC(3R)-2,2-difluoro-3-methyl-4-pyridin-2-ylbutan-1-ol
SMILESC[C@H](Cc1ccccn1)C(F)(F)CO
InChIInChI=1S/C10H13F2NO/c1-8(10(11,12)7-14)6-9-4-2-3-5-13-9/h2-5,8,14H,6-7H2,1H3/t8-/m1/s1
InChIKeyDMONJRUCDFGNLV-MRVPVSSYSA-N
MW201.22 g/mol
LogP1.89
Rot. Bonds4

About (3R)-2,2-difluoro-3-methyl-4-pyridin-2-ylbutan-1-ol

(3R)-2,2-difluoro-3-methyl-4-pyridin-2-ylbutan-1-ol (PubChem CID 145217845) has the molecular formula C10H13F2NO and a molecular weight of 201.22 g/mol. Its IUPAC name is (3R)-2,2-difluoro-3-methyl-4-pyridin-2-ylbutan-1-ol.

Molecular Properties

Compound Name(3R)-2,2-difluoro-3-methyl-4-pyridin-2-ylbutan-1-ol
PubChem CID145217845
Molecular FormulaC10H13F2NO
Molecular Weight201.22 g/mol
Exact Mass201.10
IUPAC Name(3R)-2,2-difluoro-3-methyl-4-pyridin-2-ylbutan-1-ol
SMILESC[C@H](Cc1ccccn1)C(F)(F)CO
InChIInChI=1S/C10H13F2NO/c1-8(10(11,12)7-14)6-9-4-2-3-5-13-9/h2-5,8,14H,6-7H2,1H3/t8-/m1/s1
InChIKeyDMONJRUCDFGNLV-MRVPVSSYSA-N
XLogP1.89
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.22
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-3-amino-2,2-dimethyl-4-pyridin-2-ylbutan-1-ol
CID 135132625
(2S)-1-pyridin-2-ylpropan-2-amine
CID 42037572
3,3-dimethyl-1-pyridin-2-ylbutan-2-ol
CID 62393585
2-(2-chloro-3,3,3-trifluoropropyl)pyridine
CID 66461379
4-methyl-1-pyridin-2-ylpentane-2,3-diol
CID 103456469
(1,1,1-trifluoro-3-pyridin-2-ylpropan-2-yl)hydrazine
CID 105215565
ethane;3-methyl-4-pyridin-2-ylbutan-2-one
CID 177154285
ethane;pyridin-2-ylmethanol
CID 91461493
2-amino-3-pyridin-2-ylpropan-1-ol;hydrochloride
CID 75525879
2-(2-chloro-3,3-dimethylbutyl)pyridine
CID 63203181
4,6,6-trimethyl-1-pyridin-2-ylheptan-2-ol
CID 115810990
2-(hydroxymethyl)-2-(pyridin-2-ylmethoxy)propane-1,3-diol
CID 150698152

Frequently Asked Questions

What is the IUPAC name of (3R)-2,2-difluoro-3-methyl-4-pyridin-2-ylbutan-1-ol?
The IUPAC name of (3R)-2,2-difluoro-3-methyl-4-pyridin-2-ylbutan-1-ol (CID 145217845) is (3R)-2,2-difluoro-3-methyl-4-pyridin-2-ylbutan-1-ol.
What is the SMILES notation for (3R)-2,2-difluoro-3-methyl-4-pyridin-2-ylbutan-1-ol?
The canonical SMILES for (3R)-2,2-difluoro-3-methyl-4-pyridin-2-ylbutan-1-ol is C[C@H](Cc1ccccn1)C(F)(F)CO.
What is the InChIKey of (3R)-2,2-difluoro-3-methyl-4-pyridin-2-ylbutan-1-ol?
The InChIKey is DMONJRUCDFGNLV-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H13F2NO/c1-8(10(11,12)7-14)6-9-4-2-3-5-13-9/h2-5,8,14H,6-7H2,1H3/t8-/m1/s1.
What are the key properties of (3R)-2,2-difluoro-3-methyl-4-pyridin-2-ylbutan-1-ol?
(3R)-2,2-difluoro-3-methyl-4-pyridin-2-ylbutan-1-ol has a molecular weight of 201.22 g/mol, XLogP of 1.89, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-2,2-difluoro-3-methyl-4-pyridin-2-ylbutan-1-ol is sourced from PubChem (CID 145217845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).