1-[[3,3-difluoro-1-(hydroxymethyl)cyclobutyl]amino]-4-methylpentan-2-ol

C11H21F2NO2 — CID 163393202

IUPAC1-[[3,3-difluoro-1-(hydroxymethyl)cyclobutyl]amino]-4-methylpentan-2-ol
SMILESCC(C)CC(O)CNC1(CO)CC(F)(F)C1
InChIInChI=1S/C11H21F2NO2/c1-8(2)3-9(16)4-14-10(7-15)5-11(12,13)6-10/h8-9,14-16H,3-7H2,1-2H3
InChIKeyBOUKOSFHLRKWDN-UHFFFAOYSA-N
MW237.29 g/mol
LogP1.14
Rot. Bonds6

About 1-[[3,3-difluoro-1-(hydroxymethyl)cyclobutyl]amino]-4-methylpentan-2-ol

1-[[3,3-difluoro-1-(hydroxymethyl)cyclobutyl]amino]-4-methylpentan-2-ol (PubChem CID 163393202) has the molecular formula C11H21F2NO2 and a molecular weight of 237.29 g/mol. Its IUPAC name is 1-[[3,3-difluoro-1-(hydroxymethyl)cyclobutyl]amino]-4-methylpentan-2-ol.

Molecular Properties

Compound Name1-[[3,3-difluoro-1-(hydroxymethyl)cyclobutyl]amino]-4-methylpentan-2-ol
PubChem CID163393202
Molecular FormulaC11H21F2NO2
Molecular Weight237.29 g/mol
Exact Mass237.15
IUPAC Name1-[[3,3-difluoro-1-(hydroxymethyl)cyclobutyl]amino]-4-methylpentan-2-ol
SMILESCC(C)CC(O)CNC1(CO)CC(F)(F)C1
InChIInChI=1S/C11H21F2NO2/c1-8(2)3-9(16)4-14-10(7-15)5-11(12,13)6-10/h8-9,14-16H,3-7H2,1-2H3
InChIKeyBOUKOSFHLRKWDN-UHFFFAOYSA-N
XLogP1.14
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.29
LogP ≤ 51.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(Tert-butylamino)-4-methylpentan-2-ol
CID 534387
[3,3-Difluoro-1-(propan-2-ylamino)cyclobutyl]methanol
CID 146476194
(2R)-4-methyl-2-[[3-methyl-3-(trifluoromethoxy)cyclobutyl]amino]pentan-1-ol
CID 163245686
1-[[3,3-Difluoro-1-(hydroxymethyl)cyclobutyl]amino]butan-2-ol
CID 163393211
4,4-Difluoro-2-(2-hydroxypentylamino)-2-methylpentan-1-ol
CID 167099786
1-[[3,3-Difluoro-1-(hydroxymethyl)cyclobutyl]amino]pentan-2-ol
CID 167099875
4-Methyl-2-[[3-methyl-3-(trifluoromethoxy)cyclobutyl]amino]pentan-1-ol
CID 169760200
2-Ethyl-4-methyl-2-(2,2,2-trifluoroethylamino)hexan-1-ol
CID 61044923
2,5-Dimethyl-2-(2,2,2-trifluoroethylamino)hexan-1-ol
CID 61045279
2-Methyl-2-(2,2,2-trifluoroethylamino)pentan-1-ol
CID 61045280
2,4-Dimethyl-2-(2,2,2-trifluoroethylamino)pentan-1-ol
CID 61045283
4-Methoxy-2,4-dimethyl-2-(2,2,2-trifluoroethylamino)pentan-1-ol
CID 61045657

Frequently Asked Questions

What is the IUPAC name of 1-[[3,3-difluoro-1-(hydroxymethyl)cyclobutyl]amino]-4-methylpentan-2-ol?
The IUPAC name of 1-[[3,3-difluoro-1-(hydroxymethyl)cyclobutyl]amino]-4-methylpentan-2-ol (CID 163393202) is 1-[[3,3-difluoro-1-(hydroxymethyl)cyclobutyl]amino]-4-methylpentan-2-ol.
What is the SMILES notation for 1-[[3,3-difluoro-1-(hydroxymethyl)cyclobutyl]amino]-4-methylpentan-2-ol?
The canonical SMILES for 1-[[3,3-difluoro-1-(hydroxymethyl)cyclobutyl]amino]-4-methylpentan-2-ol is CC(C)CC(O)CNC1(CO)CC(F)(F)C1.
What is the InChIKey of 1-[[3,3-difluoro-1-(hydroxymethyl)cyclobutyl]amino]-4-methylpentan-2-ol?
The InChIKey is BOUKOSFHLRKWDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F2NO2/c1-8(2)3-9(16)4-14-10(7-15)5-11(12,13)6-10/h8-9,14-16H,3-7H2,1-2H3.
What are the key properties of 1-[[3,3-difluoro-1-(hydroxymethyl)cyclobutyl]amino]-4-methylpentan-2-ol?
1-[[3,3-difluoro-1-(hydroxymethyl)cyclobutyl]amino]-4-methylpentan-2-ol has a molecular weight of 237.29 g/mol, XLogP of 1.14, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3,3-difluoro-1-(hydroxymethyl)cyclobutyl]amino]-4-methylpentan-2-ol is sourced from PubChem (CID 163393202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).