[1-[(2,2-dimethylpropylamino)methyl]-3,3-difluorocyclobutyl]methanol

C11H21F2NO — CID 164717065

IUPAC[1-[(2,2-dimethylpropylamino)methyl]-3,3-difluorocyclobutyl]methanol
SMILESCC(C)(C)CNCC1(CO)CC(F)(F)C1
InChIInChI=1S/C11H21F2NO/c1-9(2,3)6-14-7-10(8-15)4-11(12,13)5-10/h14-15H,4-8H2,1-3H3
InChIKeySJRCQGWGERMIEJ-UHFFFAOYSA-N
MW221.29 g/mol
LogP2.03
Rot. Bonds4

About [1-[(2,2-dimethylpropylamino)methyl]-3,3-difluorocyclobutyl]methanol

[1-[(2,2-dimethylpropylamino)methyl]-3,3-difluorocyclobutyl]methanol (PubChem CID 164717065) has the molecular formula C11H21F2NO and a molecular weight of 221.29 g/mol. Its IUPAC name is [1-[(2,2-dimethylpropylamino)methyl]-3,3-difluorocyclobutyl]methanol.

Molecular Properties

Compound Name[1-[(2,2-dimethylpropylamino)methyl]-3,3-difluorocyclobutyl]methanol
PubChem CID164717065
Molecular FormulaC11H21F2NO
Molecular Weight221.29 g/mol
Exact Mass221.16
IUPAC Name[1-[(2,2-dimethylpropylamino)methyl]-3,3-difluorocyclobutyl]methanol
SMILESCC(C)(C)CNCC1(CO)CC(F)(F)C1
InChIInChI=1S/C11H21F2NO/c1-9(2,3)6-14-7-10(8-15)4-11(12,13)5-10/h14-15H,4-8H2,1-3H3
InChIKeySJRCQGWGERMIEJ-UHFFFAOYSA-N
XLogP2.03
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.29
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze [1-[(2,2-dimethylpropylamino)methyl]-3,3-difluorocyclobutyl]methanol with MolForge

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Related Compounds

{1-[(Methylamino)methyl]cyclobutyl}methanol hydrochloride
CID 129319901
2-(3,3-Difluoro-1-methylcyclobutyl)-2,2-difluoro-1-(methylamino)ethanol
CID 142311874
2,2-Difluoro-1-(methylamino)-2-(1-methylcyclobutyl)ethanol
CID 142311885
[1-(Ethylaminomethyl)-3,3-difluorocyclobutyl]methanol
CID 155038067
[3,3-Difluoro-1-(methylaminomethyl)cyclobutyl]methanol
CID 177955137
[3,3-Difluoro-1-[(propan-2-ylamino)methyl]cyclobutyl]methanol
CID 177955292
2-[[Ethyl(2,2,2-trifluoroethyl)amino]methyl]-2-methylpentan-1-ol
CID 62271117
2-Methyl-2-[[propyl(2,2,2-trifluoroethyl)amino]methyl]pentan-1-ol
CID 62271299
2-Methyl-2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]pentan-1-ol
CID 62272224
2-Methyl-2-[[methyl(3,3,3-trifluoropropyl)amino]methyl]pentan-1-ol
CID 65531657
2-Methyl-2-[(2,2,2-trifluoroethylamino)methyl]butan-1-ol
CID 81411677
2-Ethyl-2-[(2,2,2-trifluoroethylamino)methyl]butan-1-ol
CID 81411678

Frequently Asked Questions

What is the IUPAC name of [1-[(2,2-dimethylpropylamino)methyl]-3,3-difluorocyclobutyl]methanol?
The IUPAC name of [1-[(2,2-dimethylpropylamino)methyl]-3,3-difluorocyclobutyl]methanol (CID 164717065) is [1-[(2,2-dimethylpropylamino)methyl]-3,3-difluorocyclobutyl]methanol.
What is the SMILES notation for [1-[(2,2-dimethylpropylamino)methyl]-3,3-difluorocyclobutyl]methanol?
The canonical SMILES for [1-[(2,2-dimethylpropylamino)methyl]-3,3-difluorocyclobutyl]methanol is CC(C)(C)CNCC1(CO)CC(F)(F)C1.
What is the InChIKey of [1-[(2,2-dimethylpropylamino)methyl]-3,3-difluorocyclobutyl]methanol?
The InChIKey is SJRCQGWGERMIEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F2NO/c1-9(2,3)6-14-7-10(8-15)4-11(12,13)5-10/h14-15H,4-8H2,1-3H3.
What are the key properties of [1-[(2,2-dimethylpropylamino)methyl]-3,3-difluorocyclobutyl]methanol?
[1-[(2,2-dimethylpropylamino)methyl]-3,3-difluorocyclobutyl]methanol has a molecular weight of 221.29 g/mol, XLogP of 2.03, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(2,2-dimethylpropylamino)methyl]-3,3-difluorocyclobutyl]methanol is sourced from PubChem (CID 164717065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).