4,4,4-trifluoro-3-(oxolan-2-ylmethyl)butan-1-amine

C9H16F3NO — CID 82534815

IUPAC4,4,4-trifluoro-3-(oxolan-2-ylmethyl)butan-1-amine
SMILESNCCC(CC1CCCO1)C(F)(F)F
InChIInChI=1S/C9H16F3NO/c10-9(11,12)7(3-4-13)6-8-2-1-5-14-8/h7-8H,1-6,13H2
InChIKeyDOMBLQDGFQSLNB-UHFFFAOYSA-N
MW211.23 g/mol
LogP2.08
Rot. Bonds4

About 4,4,4-trifluoro-3-(oxolan-2-ylmethyl)butan-1-amine

4,4,4-trifluoro-3-(oxolan-2-ylmethyl)butan-1-amine (PubChem CID 82534815) has the molecular formula C9H16F3NO and a molecular weight of 211.23 g/mol. Its IUPAC name is 4,4,4-trifluoro-3-(oxolan-2-ylmethyl)butan-1-amine.

Molecular Properties

Compound Name4,4,4-trifluoro-3-(oxolan-2-ylmethyl)butan-1-amine
PubChem CID82534815
Molecular FormulaC9H16F3NO
Molecular Weight211.23 g/mol
Exact Mass211.12
IUPAC Name4,4,4-trifluoro-3-(oxolan-2-ylmethyl)butan-1-amine
SMILESNCCC(CC1CCCO1)C(F)(F)F
InChIInChI=1S/C9H16F3NO/c10-9(11,12)7(3-4-13)6-8-2-1-5-14-8/h7-8H,1-6,13H2
InChIKeyDOMBLQDGFQSLNB-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

[5-(2,4-Difluorocyclohexyl)oxolan-2-yl]methanamine
CID 140479037
cis-(1R,3S)-5-(1-ethoxyethyl)-3-(trifluoromethyl)cycloheptan-1-amine
CID 166684416
(2R)-1,3,3-trifluoro-2-methyl-3-(oxolan-2-yl)propan-1-amine
CID 166889514
[2-(2,2,2-Trifluoroethoxy)cycloheptyl]methanamine
CID 43428740
[2-(2,2,3,3-Tetrafluoropropoxy)cycloheptyl]methanamine
CID 43428923
4-Methyl-2-[3-(2,2,2-trifluoroethoxy)propyl]pentan-1-amine
CID 62505704
2-Propyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine
CID 62505889
3,3,3-Trifluoro-2-(oxolan-2-ylmethyl)propan-1-amine
CID 82534366
3-Cyclopentyl-3-(difluoromethoxy)propan-1-amine
CID 84720005
2-[3-(Difluoromethoxy)cyclohexyl]ethanamine
CID 84720016
2-[2-(Difluoromethoxymethyl)cyclopentyl]ethanamine
CID 84720020
3-Cyclohexyl-3-(difluoromethoxy)propan-1-amine
CID 84722392

Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-3-(oxolan-2-ylmethyl)butan-1-amine?
The IUPAC name of 4,4,4-trifluoro-3-(oxolan-2-ylmethyl)butan-1-amine (CID 82534815) is 4,4,4-trifluoro-3-(oxolan-2-ylmethyl)butan-1-amine.
What is the SMILES notation for 4,4,4-trifluoro-3-(oxolan-2-ylmethyl)butan-1-amine?
The canonical SMILES for 4,4,4-trifluoro-3-(oxolan-2-ylmethyl)butan-1-amine is NCCC(CC1CCCO1)C(F)(F)F.
What is the InChIKey of 4,4,4-trifluoro-3-(oxolan-2-ylmethyl)butan-1-amine?
The InChIKey is DOMBLQDGFQSLNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3NO/c10-9(11,12)7(3-4-13)6-8-2-1-5-14-8/h7-8H,1-6,13H2.
What are the key properties of 4,4,4-trifluoro-3-(oxolan-2-ylmethyl)butan-1-amine?
4,4,4-trifluoro-3-(oxolan-2-ylmethyl)butan-1-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 4,4,4-trifluoro-3-(oxolan-2-ylmethyl)butan-1-amine is sourced from PubChem (CID 82534815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).