2-[3-(difluoromethyl)phenyl]oxolan-3-amine

C11H13F2NO — CID 115530352

IUPAC2-[3-(difluoromethyl)phenyl]oxolan-3-amine
SMILESNC1CCOC1c1cccc(C(F)F)c1
InChIInChI=1S/C11H13F2NO/c12-11(13)8-3-1-2-7(6-8)10-9(14)4-5-15-10/h1-3,6,9-11H,4-5,14H2
InChIKeyBPWHKZDZWFOPME-UHFFFAOYSA-N
MW213.23 g/mol
LogP2.41
Rot. Bonds2

About 2-[3-(difluoromethyl)phenyl]oxolan-3-amine

2-[3-(difluoromethyl)phenyl]oxolan-3-amine (PubChem CID 115530352) has the molecular formula C11H13F2NO and a molecular weight of 213.23 g/mol. Its IUPAC name is 2-[3-(difluoromethyl)phenyl]oxolan-3-amine.

Molecular Properties

Compound Name2-[3-(difluoromethyl)phenyl]oxolan-3-amine
PubChem CID115530352
Molecular FormulaC11H13F2NO
Molecular Weight213.23 g/mol
Exact Mass213.10
IUPAC Name2-[3-(difluoromethyl)phenyl]oxolan-3-amine
SMILESNC1CCOC1c1cccc(C(F)F)c1
InChIInChI=1S/C11H13F2NO/c12-11(13)8-3-1-2-7(6-8)10-9(14)4-5-15-10/h1-3,6,9-11H,4-5,14H2
InChIKeyBPWHKZDZWFOPME-UHFFFAOYSA-N
XLogP2.41
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.23
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-[3-(difluoromethyl)phenyl]oxolan-3-yl]-N-methylmethanamine
CID 113329497
N-[[2-[3-(difluoromethyl)phenyl]oxolan-3-yl]methyl]-2-methylpropan-2-amine
CID 115530341
N-[[2-[3-(difluoromethyl)phenyl]oxolan-3-yl]methyl]propan-1-amine
CID 115530338
2-(3-chlorophenyl)oxolan-3-amine
CID 79364588
2-(3,4-difluorophenyl)oxolan-3-amine
CID 71683254
2-(3-nitrophenyl)oxolan-3-amine
CID 79365956
2-(4-cyclopropylphenyl)oxolan-3-amine
CID 79978303
(2R,3S)-2-pyridin-4-yloxolan-3-amine
CID 119032003
(2R,3R)-2-pyridin-4-yloxolan-3-amine
CID 124708910
(2S,3S)-2-pyridin-3-yloxolan-3-amine
CID 124511858
[3-[3-(difluoromethyl)phenyl]-4-ethylmorpholin-2-yl]methanamine
CID 115529030
[2-[3-(difluoromethyl)phenyl]-1-methylpiperidin-3-yl]methanamine
CID 113329185

Frequently Asked Questions

What is the IUPAC name of 2-[3-(difluoromethyl)phenyl]oxolan-3-amine?
The IUPAC name of 2-[3-(difluoromethyl)phenyl]oxolan-3-amine (CID 115530352) is 2-[3-(difluoromethyl)phenyl]oxolan-3-amine.
What is the SMILES notation for 2-[3-(difluoromethyl)phenyl]oxolan-3-amine?
The canonical SMILES for 2-[3-(difluoromethyl)phenyl]oxolan-3-amine is NC1CCOC1c1cccc(C(F)F)c1.
What is the InChIKey of 2-[3-(difluoromethyl)phenyl]oxolan-3-amine?
The InChIKey is BPWHKZDZWFOPME-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F2NO/c12-11(13)8-3-1-2-7(6-8)10-9(14)4-5-15-10/h1-3,6,9-11H,4-5,14H2.
What are the key properties of 2-[3-(difluoromethyl)phenyl]oxolan-3-amine?
2-[3-(difluoromethyl)phenyl]oxolan-3-amine has a molecular weight of 213.23 g/mol, XLogP of 2.41, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(difluoromethyl)phenyl]oxolan-3-amine is sourced from PubChem (CID 115530352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).