3-[(3-ethylcyclobutyl)amino]-2,2-difluoropropan-1-ol

C9H17F2NO — CID 164877162

IUPAC3-[(3-ethylcyclobutyl)amino]-2,2-difluoropropan-1-ol
SMILESCCC1CC(NCC(F)(F)CO)C1
InChIInChI=1S/C9H17F2NO/c1-2-7-3-8(4-7)12-5-9(10,11)6-13/h7-8,12-13H,2-6H2,1H3
InChIKeyAPGLMCNXFHEFIW-UHFFFAOYSA-N
MW193.24 g/mol
LogP1.39
Rot. Bonds5

About 3-[(3-ethylcyclobutyl)amino]-2,2-difluoropropan-1-ol

3-[(3-ethylcyclobutyl)amino]-2,2-difluoropropan-1-ol (PubChem CID 164877162) has the molecular formula C9H17F2NO and a molecular weight of 193.24 g/mol. Its IUPAC name is 3-[(3-ethylcyclobutyl)amino]-2,2-difluoropropan-1-ol.

Molecular Properties

Compound Name3-[(3-ethylcyclobutyl)amino]-2,2-difluoropropan-1-ol
PubChem CID164877162
Molecular FormulaC9H17F2NO
Molecular Weight193.24 g/mol
Exact Mass193.13
IUPAC Name3-[(3-ethylcyclobutyl)amino]-2,2-difluoropropan-1-ol
SMILESCCC1CC(NCC(F)(F)CO)C1
InChIInChI=1S/C9H17F2NO/c1-2-7-3-8(4-7)12-5-9(10,11)6-13/h7-8,12-13H,2-6H2,1H3
InChIKeyAPGLMCNXFHEFIW-UHFFFAOYSA-N
XLogP1.39
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.24
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2,2-Difluoro-3-[(3-propan-2-ylcyclobutyl)amino]propan-1-ol
CID 103578510
2,2-Difluoro-3-[(3-methylcyclobutyl)amino]propan-1-ol
CID 104860563
Ethane;3-[(3-ethylcyclobutyl)amino]-2,2-difluoropropan-1-ol
CID 164877253
3,3,3-trifluoro-2-methyl-1-[[(2R,3S)-3-methylpentan-2-yl]amino]propan-1-ol
CID 167135036
2,2-Difluoro-3-[(3-prop-1-en-2-ylcyclobutyl)amino]propan-1-ol
CID 167184628
[3,3-Difluoro-1-[(propan-2-ylamino)methyl]cyclobutyl]methanol
CID 177955292
3-[[4-(Trifluoromethyl)cyclohexyl]amino]propan-1-ol
CID 64754234
3-[[2-(Trifluoromethyl)cyclohexyl]amino]propan-1-ol
CID 64757056
3-[[3-(Trifluoromethyl)cyclohexyl]amino]propan-1-ol
CID 64758793
2-Methyl-3-[[3-(trifluoromethyl)cyclohexyl]amino]propan-1-ol
CID 65031657
2-Methyl-3-[[2-(trifluoromethyl)cyclohexyl]amino]propan-1-ol
CID 65034390
2-Methyl-3-[[4-(trifluoromethyl)cyclohexyl]amino]propan-1-ol
CID 65037073

Frequently Asked Questions

What is the IUPAC name of 3-[(3-ethylcyclobutyl)amino]-2,2-difluoropropan-1-ol?
The IUPAC name of 3-[(3-ethylcyclobutyl)amino]-2,2-difluoropropan-1-ol (CID 164877162) is 3-[(3-ethylcyclobutyl)amino]-2,2-difluoropropan-1-ol.
What is the SMILES notation for 3-[(3-ethylcyclobutyl)amino]-2,2-difluoropropan-1-ol?
The canonical SMILES for 3-[(3-ethylcyclobutyl)amino]-2,2-difluoropropan-1-ol is CCC1CC(NCC(F)(F)CO)C1.
What is the InChIKey of 3-[(3-ethylcyclobutyl)amino]-2,2-difluoropropan-1-ol?
The InChIKey is APGLMCNXFHEFIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F2NO/c1-2-7-3-8(4-7)12-5-9(10,11)6-13/h7-8,12-13H,2-6H2,1H3.
What are the key properties of 3-[(3-ethylcyclobutyl)amino]-2,2-difluoropropan-1-ol?
3-[(3-ethylcyclobutyl)amino]-2,2-difluoropropan-1-ol has a molecular weight of 193.24 g/mol, XLogP of 1.39, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-ethylcyclobutyl)amino]-2,2-difluoropropan-1-ol is sourced from PubChem (CID 164877162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).