4,4,4-trifluoro-N-[(2-methyloxolan-2-yl)methyl]butan-1-amine

C10H18F3NO — CID 115513806

IUPAC4,4,4-trifluoro-N-[(2-methyloxolan-2-yl)methyl]butan-1-amine
SMILESCC1(CNCCCC(F)(F)F)CCCO1
InChIInChI=1S/C10H18F3NO/c1-9(4-3-7-15-9)8-14-6-2-5-10(11,12)13/h14H,2-8H2,1H3
InChIKeyCFVCEWYEBFSGKF-UHFFFAOYSA-N
MW225.25 g/mol
LogP2.49
Rot. Bonds5

About 4,4,4-trifluoro-N-[(2-methyloxolan-2-yl)methyl]butan-1-amine

4,4,4-trifluoro-N-[(2-methyloxolan-2-yl)methyl]butan-1-amine (PubChem CID 115513806) has the molecular formula C10H18F3NO and a molecular weight of 225.25 g/mol. Its IUPAC name is 4,4,4-trifluoro-N-[(2-methyloxolan-2-yl)methyl]butan-1-amine.

Molecular Properties

Compound Name4,4,4-trifluoro-N-[(2-methyloxolan-2-yl)methyl]butan-1-amine
PubChem CID115513806
Molecular FormulaC10H18F3NO
Molecular Weight225.25 g/mol
Exact Mass225.13
IUPAC Name4,4,4-trifluoro-N-[(2-methyloxolan-2-yl)methyl]butan-1-amine
SMILESCC1(CNCCCC(F)(F)F)CCCO1
InChIInChI=1S/C10H18F3NO/c1-9(4-3-7-15-9)8-14-6-2-5-10(11,12)13/h14H,2-8H2,1H3
InChIKeyCFVCEWYEBFSGKF-UHFFFAOYSA-N
XLogP2.49
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

[(4,4-Difluorooxolan-2-yl)methyl](methyl)amine
CID 177808931
7,7-Difluoro-5-oxa-2-azaspiro[3.4]octane
CID 55280738
4,4-Difluoro-2-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine
CID 129134151
(2S)-4,4-difluoro-2-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine
CID 138741168
7,7-Difluoro-5-oxa-2-azoniaspiro[3.4]octane
CID 166454570
2-(Difluoromethyl)-2-(propan-2-yloxymethyl)pyrrolidine
CID 172328782
2-(Difluoromethyl)-2-(ethoxymethyl)pyrrolidine
CID 172329285
(2S,4S)-4-fluoro-2-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine
CID 176638921
(2S,4R)-4-fluoro-2-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine
CID 176638926
(2S)-2-[(1R)-2,2-difluoro-1-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidine
CID 176724696
2,2,2-trifluoro-N-[[(2S)-oxolan-2-yl]methyl]ethanamine
CID 28595890
2,2,2-trifluoro-N-[[(2R)-oxolan-2-yl]methyl]ethanamine
CID 28595892

Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-N-[(2-methyloxolan-2-yl)methyl]butan-1-amine?
The IUPAC name of 4,4,4-trifluoro-N-[(2-methyloxolan-2-yl)methyl]butan-1-amine (CID 115513806) is 4,4,4-trifluoro-N-[(2-methyloxolan-2-yl)methyl]butan-1-amine.
What is the SMILES notation for 4,4,4-trifluoro-N-[(2-methyloxolan-2-yl)methyl]butan-1-amine?
The canonical SMILES for 4,4,4-trifluoro-N-[(2-methyloxolan-2-yl)methyl]butan-1-amine is CC1(CNCCCC(F)(F)F)CCCO1.
What is the InChIKey of 4,4,4-trifluoro-N-[(2-methyloxolan-2-yl)methyl]butan-1-amine?
The InChIKey is CFVCEWYEBFSGKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3NO/c1-9(4-3-7-15-9)8-14-6-2-5-10(11,12)13/h14H,2-8H2,1H3.
What are the key properties of 4,4,4-trifluoro-N-[(2-methyloxolan-2-yl)methyl]butan-1-amine?
4,4,4-trifluoro-N-[(2-methyloxolan-2-yl)methyl]butan-1-amine has a molecular weight of 225.25 g/mol, XLogP of 2.49, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-N-[(2-methyloxolan-2-yl)methyl]butan-1-amine is sourced from PubChem (CID 115513806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).