(3S)-5,5-difluoro-N-propan-2-yloxan-3-amine

C8H15F2NO — CID 177132717

IUPAC(3S)-5,5-difluoro-N-propan-2-yloxan-3-amine
SMILESCC(C)N[C@@H]1COCC(F)(F)C1
InChIInChI=1S/C8H15F2NO/c1-6(2)11-7-3-8(9,10)5-12-4-7/h6-7,11H,3-5H2,1-2H3/t7-/m0/s1
InChIKeyNKJSMORBBUYKIZ-ZETCQYMHSA-N
MW179.21 g/mol
LogP1.41
Rot. Bonds2

About (3S)-5,5-difluoro-N-propan-2-yloxan-3-amine

(3S)-5,5-difluoro-N-propan-2-yloxan-3-amine (PubChem CID 177132717) has the molecular formula C8H15F2NO and a molecular weight of 179.21 g/mol. Its IUPAC name is (3S)-5,5-difluoro-N-propan-2-yloxan-3-amine.

Molecular Properties

Compound Name(3S)-5,5-difluoro-N-propan-2-yloxan-3-amine
PubChem CID177132717
Molecular FormulaC8H15F2NO
Molecular Weight179.21 g/mol
Exact Mass179.11
IUPAC Name(3S)-5,5-difluoro-N-propan-2-yloxan-3-amine
SMILESCC(C)N[C@@H]1COCC(F)(F)C1
InChIInChI=1S/C8H15F2NO/c1-6(2)11-7-3-8(9,10)5-12-4-7/h6-7,11H,3-5H2,1-2H3/t7-/m0/s1
InChIKeyNKJSMORBBUYKIZ-ZETCQYMHSA-N
XLogP1.41
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.21
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-Methyloxan-3-amine
CID 14145422
3-(2,2-Difluoroethyl)morpholine
CID 119030882
N-(2,2,2-trifluoroethyl)oxan-3-amine
CID 63363393
N-Methyloxan-3-amine--hydrogen chloride (1/1)
CID 53408654
3-(2,2,2-Trifluoroethyl)morpholine
CID 83914474
3-(1,1-Difluoroethyl)morpholine
CID 83853727
N-ethyloxan-3-amine hydrochloride
CID 122156621
3-(3,3,3-Trifluoropropyl)morpholine hydrochloride
CID 145874277
N-(3,3,3-trifluoropropyl)oxan-4-amine
CID 63225984
N-ethyloxan-3-amine
CID 63360368
(3S)-3-(2,2-Difluoroethyl)morpholine
CID 100628628
(3S,4R)-3-N-(2,2,2-trifluoroethyl)oxane-3,4-diamine;hydrochloride
CID 138598368

Frequently Asked Questions

What is the IUPAC name of (3S)-5,5-difluoro-N-propan-2-yloxan-3-amine?
The IUPAC name of (3S)-5,5-difluoro-N-propan-2-yloxan-3-amine (CID 177132717) is (3S)-5,5-difluoro-N-propan-2-yloxan-3-amine.
What is the SMILES notation for (3S)-5,5-difluoro-N-propan-2-yloxan-3-amine?
The canonical SMILES for (3S)-5,5-difluoro-N-propan-2-yloxan-3-amine is CC(C)N[C@@H]1COCC(F)(F)C1.
What is the InChIKey of (3S)-5,5-difluoro-N-propan-2-yloxan-3-amine?
The InChIKey is NKJSMORBBUYKIZ-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H15F2NO/c1-6(2)11-7-3-8(9,10)5-12-4-7/h6-7,11H,3-5H2,1-2H3/t7-/m0/s1.
What are the key properties of (3S)-5,5-difluoro-N-propan-2-yloxan-3-amine?
(3S)-5,5-difluoro-N-propan-2-yloxan-3-amine has a molecular weight of 179.21 g/mol, XLogP of 1.41, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-5,5-difluoro-N-propan-2-yloxan-3-amine is sourced from PubChem (CID 177132717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).