(3R)-3-(1,1-difluoroethyl)oxolan-3-amine

C6H11F2NO — CID 170063102

IUPAC(3R)-3-(1,1-difluoroethyl)oxolan-3-amine
SMILESCC(F)(F)[C@@]1(N)CCOC1
InChIInChI=1S/C6H11F2NO/c1-5(7,8)6(9)2-3-10-4-6/h2-4,9H2,1H3/t6-/m1/s1
InChIKeyHTSWSKXBZHDRKG-ZCFIWIBFSA-N
MW151.16 g/mol
LogP0.76
Rot. Bonds1

About (3R)-3-(1,1-difluoroethyl)oxolan-3-amine

(3R)-3-(1,1-difluoroethyl)oxolan-3-amine (PubChem CID 170063102) has the molecular formula C6H11F2NO and a molecular weight of 151.16 g/mol. Its IUPAC name is (3R)-3-(1,1-difluoroethyl)oxolan-3-amine.

Molecular Properties

Compound Name(3R)-3-(1,1-difluoroethyl)oxolan-3-amine
PubChem CID170063102
Molecular FormulaC6H11F2NO
Molecular Weight151.16 g/mol
Exact Mass151.08
IUPAC Name(3R)-3-(1,1-difluoroethyl)oxolan-3-amine
SMILESCC(F)(F)[C@@]1(N)CCOC1
InChIInChI=1S/C6H11F2NO/c1-5(7,8)6(9)2-3-10-4-6/h2-4,9H2,1H3/t6-/m1/s1
InChIKeyHTSWSKXBZHDRKG-ZCFIWIBFSA-N
XLogP0.76
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.16
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-(1,1-difluoroethyl)oxolan-3-amine?
The IUPAC name of (3R)-3-(1,1-difluoroethyl)oxolan-3-amine (CID 170063102) is (3R)-3-(1,1-difluoroethyl)oxolan-3-amine.
What is the SMILES notation for (3R)-3-(1,1-difluoroethyl)oxolan-3-amine?
The canonical SMILES for (3R)-3-(1,1-difluoroethyl)oxolan-3-amine is CC(F)(F)[C@@]1(N)CCOC1.
What is the InChIKey of (3R)-3-(1,1-difluoroethyl)oxolan-3-amine?
The InChIKey is HTSWSKXBZHDRKG-ZCFIWIBFSA-N. The full InChI is InChI=1S/C6H11F2NO/c1-5(7,8)6(9)2-3-10-4-6/h2-4,9H2,1H3/t6-/m1/s1.
What are the key properties of (3R)-3-(1,1-difluoroethyl)oxolan-3-amine?
(3R)-3-(1,1-difluoroethyl)oxolan-3-amine has a molecular weight of 151.16 g/mol, XLogP of 0.76, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(1,1-difluoroethyl)oxolan-3-amine is sourced from PubChem (CID 170063102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).