3,3,3-trifluoro-2-(oxolan-2-ylmethyl)propan-1-amine

C8H14F3NO — CID 82534366

IUPAC3,3,3-trifluoro-2-(oxolan-2-ylmethyl)propan-1-amine
SMILESNCC(CC1CCCO1)C(F)(F)F
InChIInChI=1S/C8H14F3NO/c9-8(10,11)6(5-12)4-7-2-1-3-13-7/h6-7H,1-5,12H2
InChIKeyZWNODSMCFHHRDQ-UHFFFAOYSA-N
MW197.20 g/mol
LogP1.69
Rot. Bonds3

About 3,3,3-trifluoro-2-(oxolan-2-ylmethyl)propan-1-amine

3,3,3-trifluoro-2-(oxolan-2-ylmethyl)propan-1-amine (PubChem CID 82534366) has the molecular formula C8H14F3NO and a molecular weight of 197.20 g/mol. Its IUPAC name is 3,3,3-trifluoro-2-(oxolan-2-ylmethyl)propan-1-amine.

Molecular Properties

Compound Name3,3,3-trifluoro-2-(oxolan-2-ylmethyl)propan-1-amine
PubChem CID82534366
Molecular FormulaC8H14F3NO
Molecular Weight197.20 g/mol
Exact Mass197.10
IUPAC Name3,3,3-trifluoro-2-(oxolan-2-ylmethyl)propan-1-amine
SMILESNCC(CC1CCCO1)C(F)(F)F
InChIInChI=1S/C8H14F3NO/c9-8(10,11)6(5-12)4-7-2-1-3-13-7/h6-7H,1-5,12H2
InChIKeyZWNODSMCFHHRDQ-UHFFFAOYSA-N
XLogP1.69
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.20
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-1,3,3-trifluoro-2-methyl-3-(oxolan-2-yl)propan-1-amine
CID 166889514
4,4,4-Trifluoro-3-(oxolan-2-ylmethyl)butan-1-amine
CID 82534815
2-[2-(Difluoromethoxy)cyclopentyl]ethanamine
CID 84718125
2-methyl-3-(5-methyloxolan-2-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 103139099
1,1,1-Trifluoro-6-(oxolan-2-yl)-2-(trifluoromethyl)hexan-3-amine
CID 103312038
1,1,1-Trifluoro-5-(oxolan-2-yl)-2-(trifluoromethyl)pentan-3-amine
CID 103312041
4,4,4-Trifluoro-1-(2,4,5-trimethyloxolan-3-yl)butan-1-amine
CID 104992909
4,4,4-Trifluoro-1-(2-methyloxolan-3-yl)butan-1-amine
CID 104992912
4,4,4-Trifluoro-1-(5-methyloxolan-3-yl)butan-1-amine
CID 104992980
5,5,5-Trifluoro-1-(2-methyloxolan-3-yl)pentan-1-amine
CID 105024270
5,5,5-Trifluoro-1-(5-methyloxolan-3-yl)pentan-1-amine
CID 105024352
1-(4,4-Difluorocyclohexyl)-3-(oxolan-2-yl)propan-1-amine
CID 105156948

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-2-(oxolan-2-ylmethyl)propan-1-amine?
The IUPAC name of 3,3,3-trifluoro-2-(oxolan-2-ylmethyl)propan-1-amine (CID 82534366) is 3,3,3-trifluoro-2-(oxolan-2-ylmethyl)propan-1-amine.
What is the SMILES notation for 3,3,3-trifluoro-2-(oxolan-2-ylmethyl)propan-1-amine?
The canonical SMILES for 3,3,3-trifluoro-2-(oxolan-2-ylmethyl)propan-1-amine is NCC(CC1CCCO1)C(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-2-(oxolan-2-ylmethyl)propan-1-amine?
The InChIKey is ZWNODSMCFHHRDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F3NO/c9-8(10,11)6(5-12)4-7-2-1-3-13-7/h6-7H,1-5,12H2.
What are the key properties of 3,3,3-trifluoro-2-(oxolan-2-ylmethyl)propan-1-amine?
3,3,3-trifluoro-2-(oxolan-2-ylmethyl)propan-1-amine has a molecular weight of 197.20 g/mol, XLogP of 1.69, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-2-(oxolan-2-ylmethyl)propan-1-amine is sourced from PubChem (CID 82534366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).