ethane;2-(4-ethyl-3,3-difluoropyrrolidin-1-yl)ethanol

C10H21F2NO — CID 170603780

IUPACethane;2-(4-ethyl-3,3-difluoropyrrolidin-1-yl)ethanol
SMILESCC.CCC1CN(CCO)CC1(F)F
InChIInChI=1S/C8H15F2NO.C2H6/c1-2-7-5-11(3-4-12)6-8(7,9)10;1-2/h7,12H,2-6H2,1H3;1-2H3
InChIKeyCAINLZQFADBJEA-UHFFFAOYSA-N
MW209.28 g/mol
LogP1.98
Rot. Bonds3

About ethane;2-(4-ethyl-3,3-difluoropyrrolidin-1-yl)ethanol

ethane;2-(4-ethyl-3,3-difluoropyrrolidin-1-yl)ethanol (PubChem CID 170603780) has the molecular formula C10H21F2NO and a molecular weight of 209.28 g/mol. Its IUPAC name is ethane;2-(4-ethyl-3,3-difluoropyrrolidin-1-yl)ethanol.

Molecular Properties

Compound Nameethane;2-(4-ethyl-3,3-difluoropyrrolidin-1-yl)ethanol
PubChem CID170603780
Molecular FormulaC10H21F2NO
Molecular Weight209.28 g/mol
Exact Mass209.16
IUPAC Nameethane;2-(4-ethyl-3,3-difluoropyrrolidin-1-yl)ethanol
SMILESCC.CCC1CN(CCO)CC1(F)F
InChIInChI=1S/C8H15F2NO.C2H6/c1-2-7-5-11(3-4-12)6-8(7,9)10;1-2/h7,12H,2-6H2,1H3;1-2H3
InChIKeyCAINLZQFADBJEA-UHFFFAOYSA-N
XLogP1.98
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.28
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[3-(1-Fluoroethyl)pyrrolidin-1-yl]propan-1-ol
CID 67281088
3-[3-(2-Fluoroethyl)pyrrolidin-1-yl]propan-1-ol
CID 67283084
1-[(2R)-2-methyl-4-(trifluoromethyl)pyrrolidin-1-yl]propan-1-ol
CID 67851644
2-[(3R)-3-(2-fluoroethyl)pyrrolidin-1-yl]ethanol
CID 140293700
2-[3-(3,3-Difluoropropyl)pyrrolidin-1-yl]ethanol
CID 141084251
2-[3-(3,3-Difluoropentyl)pyrrolidin-1-yl]ethanol
CID 141084252
1-Methyl-4-(2,2,2-trifluoroethyl)pyrrolidin-3-ol
CID 155160475
2-[(3,3-Difluorocyclobutyl)methyl-methylamino]ethanol
CID 156297917
2-(4-Ethyl-3,3-difluoropyrrolidin-1-yl)ethanol
CID 163379532
2-(3,3-Difluoro-4-propan-2-ylpyrrolidin-1-yl)ethanol
CID 163381002
1-(3,3-Difluoropyrrolidin-1-yl)-4-methylpentan-2-ol
CID 171507293
3-[(3R,4R)-3-ethyl-4-fluoropyrrolidin-1-yl]-2,2-difluoropropan-1-ol
CID 172367588

Frequently Asked Questions

What is the IUPAC name of ethane;2-(4-ethyl-3,3-difluoropyrrolidin-1-yl)ethanol?
The IUPAC name of ethane;2-(4-ethyl-3,3-difluoropyrrolidin-1-yl)ethanol (CID 170603780) is ethane;2-(4-ethyl-3,3-difluoropyrrolidin-1-yl)ethanol.
What is the SMILES notation for ethane;2-(4-ethyl-3,3-difluoropyrrolidin-1-yl)ethanol?
The canonical SMILES for ethane;2-(4-ethyl-3,3-difluoropyrrolidin-1-yl)ethanol is CC.CCC1CN(CCO)CC1(F)F.
What is the InChIKey of ethane;2-(4-ethyl-3,3-difluoropyrrolidin-1-yl)ethanol?
The InChIKey is CAINLZQFADBJEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F2NO.C2H6/c1-2-7-5-11(3-4-12)6-8(7,9)10;1-2/h7,12H,2-6H2,1H3;1-2H3.
What are the key properties of ethane;2-(4-ethyl-3,3-difluoropyrrolidin-1-yl)ethanol?
ethane;2-(4-ethyl-3,3-difluoropyrrolidin-1-yl)ethanol has a molecular weight of 209.28 g/mol, XLogP of 1.98, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-(4-ethyl-3,3-difluoropyrrolidin-1-yl)ethanol is sourced from PubChem (CID 170603780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).