1,1-difluoro-5-(oxolan-2-yl)pentan-2-amine

C9H17F2NO — CID 103516724

IUPAC1,1-difluoro-5-(oxolan-2-yl)pentan-2-amine
SMILESNC(CCCC1CCCO1)C(F)F
InChIInChI=1S/C9H17F2NO/c10-9(11)8(12)5-1-3-7-4-2-6-13-7/h7-9H,1-6,12H2
InChIKeySXGURFKVGAFOOX-UHFFFAOYSA-N
MW193.24 g/mol
LogP1.93
Rot. Bonds5

About 1,1-difluoro-5-(oxolan-2-yl)pentan-2-amine

1,1-difluoro-5-(oxolan-2-yl)pentan-2-amine (PubChem CID 103516724) has the molecular formula C9H17F2NO and a molecular weight of 193.24 g/mol. Its IUPAC name is 1,1-difluoro-5-(oxolan-2-yl)pentan-2-amine.

Molecular Properties

Compound Name1,1-difluoro-5-(oxolan-2-yl)pentan-2-amine
PubChem CID103516724
Molecular FormulaC9H17F2NO
Molecular Weight193.24 g/mol
Exact Mass193.13
IUPAC Name1,1-difluoro-5-(oxolan-2-yl)pentan-2-amine
SMILESNC(CCCC1CCCO1)C(F)F
InChIInChI=1S/C9H17F2NO/c10-9(11)8(12)5-1-3-7-4-2-6-13-7/h7-9H,1-6,12H2
InChIKeySXGURFKVGAFOOX-UHFFFAOYSA-N
XLogP1.93
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.24
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1,1-difluoro-4-(oxolan-2-yl)butan-2-amine
CID 103516728
2-methoxy-6-(oxolan-2-yl)hexan-3-amine
CID 79617762
1,5-bis(oxolan-2-yl)pentan-3-amine
CID 104993652
(2S)-2-amino-5-(oxolan-2-yl)pentanoic acid
CID 106702722
4-methyl-7-(oxolan-2-yl)heptan-2-amine
CID 65164978
4-(oxolan-2-yl)-1-(thian-2-yl)butan-1-amine
CID 80626361
3-methyl-6-(oxolan-2-yl)hexan-1-amine
CID 81013220
4-(oxolan-2-yl)-1-(3,4,5-trifluorophenyl)butan-1-amine
CID 65164140
1-methoxy-7-(oxolan-2-yl)heptan-4-amine
CID 65164869
(2R)-4-[(2R)-oxolan-2-yl]butan-2-amine
CID 7380763
2-[4-[5-(oxolan-2-yl)pentan-2-ylsulfanyl]pentyl]oxolane
CID 54448834
2-(4-chloro-4-cyclopropylbutyl)oxolane
CID 64506432

Frequently Asked Questions

What is the IUPAC name of 1,1-difluoro-5-(oxolan-2-yl)pentan-2-amine?
The IUPAC name of 1,1-difluoro-5-(oxolan-2-yl)pentan-2-amine (CID 103516724) is 1,1-difluoro-5-(oxolan-2-yl)pentan-2-amine.
What is the SMILES notation for 1,1-difluoro-5-(oxolan-2-yl)pentan-2-amine?
The canonical SMILES for 1,1-difluoro-5-(oxolan-2-yl)pentan-2-amine is NC(CCCC1CCCO1)C(F)F.
What is the InChIKey of 1,1-difluoro-5-(oxolan-2-yl)pentan-2-amine?
The InChIKey is SXGURFKVGAFOOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F2NO/c10-9(11)8(12)5-1-3-7-4-2-6-13-7/h7-9H,1-6,12H2.
What are the key properties of 1,1-difluoro-5-(oxolan-2-yl)pentan-2-amine?
1,1-difluoro-5-(oxolan-2-yl)pentan-2-amine has a molecular weight of 193.24 g/mol, XLogP of 1.93, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoro-5-(oxolan-2-yl)pentan-2-amine is sourced from PubChem (CID 103516724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).