4-(1,1-difluoroethyl)oxan-4-amine

C7H13F2NO — CID 84764909

IUPAC4-(1,1-difluoroethyl)oxan-4-amine
SMILESCC(F)(F)C1(N)CCOCC1
InChIInChI=1S/C7H13F2NO/c1-6(8,9)7(10)2-4-11-5-3-7/h2-5,10H2,1H3
InChIKeyBSUNWDBVTSYDIK-UHFFFAOYSA-N
MW165.18 g/mol
LogP1.15
Rot. Bonds1

About 4-(1,1-difluoroethyl)oxan-4-amine

4-(1,1-difluoroethyl)oxan-4-amine (PubChem CID 84764909) has the molecular formula C7H13F2NO and a molecular weight of 165.18 g/mol. Its IUPAC name is 4-(1,1-difluoroethyl)oxan-4-amine.

Molecular Properties

Compound Name4-(1,1-difluoroethyl)oxan-4-amine
PubChem CID84764909
Molecular FormulaC7H13F2NO
Molecular Weight165.18 g/mol
Exact Mass165.10
IUPAC Name4-(1,1-difluoroethyl)oxan-4-amine
SMILESCC(F)(F)C1(N)CCOCC1
InChIInChI=1S/C7H13F2NO/c1-6(8,9)7(10)2-4-11-5-3-7/h2-5,10H2,1H3
InChIKeyBSUNWDBVTSYDIK-UHFFFAOYSA-N
XLogP1.15
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.18
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-Methyloxan-4-amine
CID 18437373
4-Methyloxan-4-amine hydrochloride
CID 18437372
4-(Trifluoromethyl)oxan-4-amine
CID 50989637
4-(Trifluoromethyl)oxan-4-amine hydrochloride
CID 54595883
4-Ethyloxan-4-amine
CID 63220680
4-(Difluoromethyl)oxan-4-amine hydrochloride
CID 132327791
4-(1,1-Difluoroethyl)oxan-4-amine hydrochloride
CID 132372701
4-(Fluoromethyl)tetrahydro-2H-pyran-4-amine
CID 84762372
N-methyl-4-(trifluoromethyl)oxan-4-amine
CID 66207189
Azane;4-(trifluoromethyl)oxan-4-amine;hydrochloride
CID 141430854
(3R)-3-(1,1-difluoroethyl)oxolan-3-amine
CID 170063102
2-Methyl-4-(2,2,2-trifluoroethoxy)butan-2-amine
CID 62619962

Frequently Asked Questions

What is the IUPAC name of 4-(1,1-difluoroethyl)oxan-4-amine?
The IUPAC name of 4-(1,1-difluoroethyl)oxan-4-amine (CID 84764909) is 4-(1,1-difluoroethyl)oxan-4-amine.
What is the SMILES notation for 4-(1,1-difluoroethyl)oxan-4-amine?
The canonical SMILES for 4-(1,1-difluoroethyl)oxan-4-amine is CC(F)(F)C1(N)CCOCC1.
What is the InChIKey of 4-(1,1-difluoroethyl)oxan-4-amine?
The InChIKey is BSUNWDBVTSYDIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F2NO/c1-6(8,9)7(10)2-4-11-5-3-7/h2-5,10H2,1H3.
What are the key properties of 4-(1,1-difluoroethyl)oxan-4-amine?
4-(1,1-difluoroethyl)oxan-4-amine has a molecular weight of 165.18 g/mol, XLogP of 1.15, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,1-difluoroethyl)oxan-4-amine is sourced from PubChem (CID 84764909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).