3,3-difluoro-3-(oxolan-3-yl)propan-1-amine

C7H13F2NO — CID 105432611

IUPAC3,3-difluoro-3-(oxolan-3-yl)propan-1-amine
SMILESNCCC(F)(F)C1CCOC1
InChIInChI=1S/C7H13F2NO/c8-7(9,2-3-10)6-1-4-11-5-6/h6H,1-5,10H2
InChIKeyFHOGURXUNRCXGH-UHFFFAOYSA-N
MW165.18 g/mol
LogP1.01
Rot. Bonds3

About 3,3-difluoro-3-(oxolan-3-yl)propan-1-amine

3,3-difluoro-3-(oxolan-3-yl)propan-1-amine (PubChem CID 105432611) has the molecular formula C7H13F2NO and a molecular weight of 165.18 g/mol. Its IUPAC name is 3,3-difluoro-3-(oxolan-3-yl)propan-1-amine.

Molecular Properties

Compound Name3,3-difluoro-3-(oxolan-3-yl)propan-1-amine
PubChem CID105432611
Molecular FormulaC7H13F2NO
Molecular Weight165.18 g/mol
Exact Mass165.10
IUPAC Name3,3-difluoro-3-(oxolan-3-yl)propan-1-amine
SMILESNCCC(F)(F)C1CCOC1
InChIInChI=1S/C7H13F2NO/c8-7(9,2-3-10)6-1-4-11-5-6/h6H,1-5,10H2
InChIKeyFHOGURXUNRCXGH-UHFFFAOYSA-N
XLogP1.01
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.18
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-ethyl-3-(oxan-4-yl)pentan-1-amine
CID 83819180
2-(oxolan-3-yl)butane-1,2-diamine
CID 130503517
2-(oxolan-3-yl)propane-2-thiol
CID 126657698
1,1-difluoro-N,N-dimethyl-1-(oxolan-3-yl)methanamine
CID 66999978
3-(1-ethylpiperidin-4-yl)-3,3-difluoropropan-1-amine
CID 105459090
N,2-dimethyl-2-(oxolan-3-yl)propan-1-amine;hydrochloride
CID 122240134
2-(3,5-dimethylpiperidin-1-yl)-2-(oxolan-3-yl)propan-1-amine
CID 113483694
N-(3,3,3-trifluoropropyl)oxolan-3-amine
CID 63335110
1-[4-(aminomethyl)phenyl]-1-(oxolan-3-yl)ethanol
CID 115032739
2-N-(2-methylprop-2-enyl)-2-(oxolan-3-yl)propane-1,2-diamine
CID 114616000
2-(oxolan-3-yl)ethanamine
CID 22355254
N'-(oxolan-3-yl)propane-1,3-diamine
CID 63335365

Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-3-(oxolan-3-yl)propan-1-amine?
The IUPAC name of 3,3-difluoro-3-(oxolan-3-yl)propan-1-amine (CID 105432611) is 3,3-difluoro-3-(oxolan-3-yl)propan-1-amine.
What is the SMILES notation for 3,3-difluoro-3-(oxolan-3-yl)propan-1-amine?
The canonical SMILES for 3,3-difluoro-3-(oxolan-3-yl)propan-1-amine is NCCC(F)(F)C1CCOC1.
What is the InChIKey of 3,3-difluoro-3-(oxolan-3-yl)propan-1-amine?
The InChIKey is FHOGURXUNRCXGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F2NO/c8-7(9,2-3-10)6-1-4-11-5-6/h6H,1-5,10H2.
What are the key properties of 3,3-difluoro-3-(oxolan-3-yl)propan-1-amine?
3,3-difluoro-3-(oxolan-3-yl)propan-1-amine has a molecular weight of 165.18 g/mol, XLogP of 1.01, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-3-(oxolan-3-yl)propan-1-amine is sourced from PubChem (CID 105432611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).