4-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]oxolan-3-amine

C10H17F3N2O — CID 66236523

IUPAC4-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]oxolan-3-amine
SMILESNC1COCC1CN(CC(F)(F)F)C1CC1
InChIInChI=1S/C10H17F3N2O/c11-10(12,13)6-15(8-1-2-8)3-7-4-16-5-9(7)14/h7-9H,1-6,14H2
InChIKeySLSJDMVLRCJPGY-UHFFFAOYSA-N
MW238.25 g/mol
LogP0.99
Rot. Bonds4

About 4-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]oxolan-3-amine

4-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]oxolan-3-amine (PubChem CID 66236523) has the molecular formula C10H17F3N2O and a molecular weight of 238.25 g/mol. Its IUPAC name is 4-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]oxolan-3-amine.

Molecular Properties

Compound Name4-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]oxolan-3-amine
PubChem CID66236523
Molecular FormulaC10H17F3N2O
Molecular Weight238.25 g/mol
Exact Mass238.13
IUPAC Name4-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]oxolan-3-amine
SMILESNC1COCC1CN(CC(F)(F)F)C1CC1
InChIInChI=1S/C10H17F3N2O/c11-10(12,13)6-15(8-1-2-8)3-7-4-16-5-9(7)14/h7-9H,1-6,14H2
InChIKeySLSJDMVLRCJPGY-UHFFFAOYSA-N
XLogP0.99
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.25
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 55201545
CID 61491010
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CID 62255857
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CID 62256028
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CID 62256048
CID 62256048
CID 62256219
CID 62256219
CID 62256220
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CID 62256221
CID 62256221

Frequently Asked Questions

What is the IUPAC name of 4-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]oxolan-3-amine?
The IUPAC name of 4-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]oxolan-3-amine (CID 66236523) is 4-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]oxolan-3-amine.
What is the SMILES notation for 4-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]oxolan-3-amine?
The canonical SMILES for 4-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]oxolan-3-amine is NC1COCC1CN(CC(F)(F)F)C1CC1.
What is the InChIKey of 4-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]oxolan-3-amine?
The InChIKey is SLSJDMVLRCJPGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3N2O/c11-10(12,13)6-15(8-1-2-8)3-7-4-16-5-9(7)14/h7-9H,1-6,14H2.
What are the key properties of 4-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]oxolan-3-amine?
4-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]oxolan-3-amine has a molecular weight of 238.25 g/mol, XLogP of 0.99, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]oxolan-3-amine is sourced from PubChem (CID 66236523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).