5,5,5-trifluoro-1-(oxolan-3-yl)pentan-2-amine

C9H16F3NO — CID 103986661

IUPAC5,5,5-trifluoro-1-(oxolan-3-yl)pentan-2-amine
SMILESNC(CCC(F)(F)F)CC1CCOC1
InChIInChI=1S/C9H16F3NO/c10-9(11,12)3-1-8(13)5-7-2-4-14-6-7/h7-8H,1-6,13H2
InChIKeyMSIAQCVKBMXEMZ-UHFFFAOYSA-N
MW211.23 g/mol
LogP2.08
Rot. Bonds4

About 5,5,5-trifluoro-1-(oxolan-3-yl)pentan-2-amine

5,5,5-trifluoro-1-(oxolan-3-yl)pentan-2-amine (PubChem CID 103986661) has the molecular formula C9H16F3NO and a molecular weight of 211.23 g/mol. Its IUPAC name is 5,5,5-trifluoro-1-(oxolan-3-yl)pentan-2-amine.

Molecular Properties

Compound Name5,5,5-trifluoro-1-(oxolan-3-yl)pentan-2-amine
PubChem CID103986661
Molecular FormulaC9H16F3NO
Molecular Weight211.23 g/mol
Exact Mass211.12
IUPAC Name5,5,5-trifluoro-1-(oxolan-3-yl)pentan-2-amine
SMILESNC(CCC(F)(F)F)CC1CCOC1
InChIInChI=1S/C9H16F3NO/c10-9(11,12)3-1-8(13)5-7-2-4-14-6-7/h7-8H,1-6,13H2
InChIKeyMSIAQCVKBMXEMZ-UHFFFAOYSA-N
XLogP2.08
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.23
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(3,3-Difluoropropoxymethyl)cyclohexan-1-amine
CID 118523703
4-(3,3,3-Trifluoropropoxymethyl)cyclohexan-1-amine
CID 126566213
(2S)-2-fluoro-8-methoxy-3-methyloctan-4-amine
CID 163716390
cis-(1R,3S)-5-(1-ethoxyethyl)-3-(trifluoromethyl)cycloheptan-1-amine
CID 166684416
1-Cyclohexyl-4-(2,2,2-trifluoroethoxy)butan-1-amine
CID 55095682
2-[2-(2,2,2-Trifluoroethoxy)ethyl]cyclohexan-1-amine
CID 61490290
2-[2-(2,2,2-Trifluoroethoxy)ethyl]cyclopentan-1-amine
CID 61490905
2-Methyl-7-(2,2,2-trifluoroethoxy)heptan-3-amine
CID 61491063
3-Methyl-6-(2,2,2-trifluoroethoxy)hexan-2-amine
CID 61491064
3-Ethyl-6-(2,2,2-trifluoroethoxy)hexan-2-amine
CID 61491286
2-[3-(2,2,2-Trifluoroethoxy)propyl]cyclopentan-1-amine
CID 61491326
2-[3-(2,2,2-Trifluoroethoxy)propyl]cyclohexan-1-amine
CID 61491363

Frequently Asked Questions

What is the IUPAC name of 5,5,5-trifluoro-1-(oxolan-3-yl)pentan-2-amine?
The IUPAC name of 5,5,5-trifluoro-1-(oxolan-3-yl)pentan-2-amine (CID 103986661) is 5,5,5-trifluoro-1-(oxolan-3-yl)pentan-2-amine.
What is the SMILES notation for 5,5,5-trifluoro-1-(oxolan-3-yl)pentan-2-amine?
The canonical SMILES for 5,5,5-trifluoro-1-(oxolan-3-yl)pentan-2-amine is NC(CCC(F)(F)F)CC1CCOC1.
What is the InChIKey of 5,5,5-trifluoro-1-(oxolan-3-yl)pentan-2-amine?
The InChIKey is MSIAQCVKBMXEMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3NO/c10-9(11,12)3-1-8(13)5-7-2-4-14-6-7/h7-8H,1-6,13H2.
What are the key properties of 5,5,5-trifluoro-1-(oxolan-3-yl)pentan-2-amine?
5,5,5-trifluoro-1-(oxolan-3-yl)pentan-2-amine has a molecular weight of 211.23 g/mol, XLogP of 2.08, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5,5-trifluoro-1-(oxolan-3-yl)pentan-2-amine is sourced from PubChem (CID 103986661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).