(2S)-4,4,4-trifluoro-N-methyl-2-(oxan-4-yl)butan-1-amine

C10H18F3NO — CID 129494993

IUPAC(2S)-4,4,4-trifluoro-N-methyl-2-(oxan-4-yl)butan-1-amine
SMILESCNC[C@@H](CC(F)(F)F)C1CCOCC1
InChIInChI=1S/C10H18F3NO/c1-14-7-9(6-10(11,12)13)8-2-4-15-5-3-8/h8-9,14H,2-7H2,1H3/t9-/m1/s1
InChIKeyKKOMGNQHPFQMLM-SECBINFHSA-N
MW225.25 g/mol
LogP2.20
Rot. Bonds4

About (2S)-4,4,4-trifluoro-N-methyl-2-(oxan-4-yl)butan-1-amine

(2S)-4,4,4-trifluoro-N-methyl-2-(oxan-4-yl)butan-1-amine (PubChem CID 129494993) has the molecular formula C10H18F3NO and a molecular weight of 225.25 g/mol. Its IUPAC name is (2S)-4,4,4-trifluoro-N-methyl-2-(oxan-4-yl)butan-1-amine.

Molecular Properties

Compound Name(2S)-4,4,4-trifluoro-N-methyl-2-(oxan-4-yl)butan-1-amine
PubChem CID129494993
Molecular FormulaC10H18F3NO
Molecular Weight225.25 g/mol
Exact Mass225.13
IUPAC Name(2S)-4,4,4-trifluoro-N-methyl-2-(oxan-4-yl)butan-1-amine
SMILESCNC[C@@H](CC(F)(F)F)C1CCOCC1
InChIInChI=1S/C10H18F3NO/c1-14-7-9(6-10(11,12)13)8-2-4-15-5-3-8/h8-9,14H,2-7H2,1H3/t9-/m1/s1
InChIKeyKKOMGNQHPFQMLM-SECBINFHSA-N
XLogP2.20
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(1-bromo-4,4,4-trifluorobutan-2-yl)oxane
CID 121208217
2-cyclopropyl-N,4,4-trimethylpentan-1-amine
CID 83827155
3,3,3-trifluoro-1-(oxan-4-yl)propan-1-amine
CID 63935479
N,N'-dimethyl-1-(oxan-4-yl)ethane-1,2-diamine
CID 116948007
(2S)-2-fluoro-N-methyl-2-[(3S)-oxolan-3-yl]ethanamine
CID 129462655
3,3-dimethyl-1-(oxan-4-yl)butan-1-ol
CID 63937877
N,4,4-trimethyl-1-(oxan-4-yl)pentan-2-amine
CID 63891515
1-N,2-N-dimethyl-2-N-(oxan-4-ylmethyl)propane-1,2-diamine
CID 63707845
N-methyl-2-(oxan-4-ylmethyl)pentan-1-amine
CID 62528116
1-N,3-N,2-trimethyl-3-N-(oxan-4-yl)butane-1,3-diamine
CID 79409675
N-methyl-2-(oxan-4-yloxy)propan-1-amine
CID 62440891
1-cyclopentyl-4,4,4-trifluoro-N-methylbutan-2-amine
CID 62603326

Frequently Asked Questions

What is the IUPAC name of (2S)-4,4,4-trifluoro-N-methyl-2-(oxan-4-yl)butan-1-amine?
The IUPAC name of (2S)-4,4,4-trifluoro-N-methyl-2-(oxan-4-yl)butan-1-amine (CID 129494993) is (2S)-4,4,4-trifluoro-N-methyl-2-(oxan-4-yl)butan-1-amine.
What is the SMILES notation for (2S)-4,4,4-trifluoro-N-methyl-2-(oxan-4-yl)butan-1-amine?
The canonical SMILES for (2S)-4,4,4-trifluoro-N-methyl-2-(oxan-4-yl)butan-1-amine is CNC[C@@H](CC(F)(F)F)C1CCOCC1.
What is the InChIKey of (2S)-4,4,4-trifluoro-N-methyl-2-(oxan-4-yl)butan-1-amine?
The InChIKey is KKOMGNQHPFQMLM-SECBINFHSA-N. The full InChI is InChI=1S/C10H18F3NO/c1-14-7-9(6-10(11,12)13)8-2-4-15-5-3-8/h8-9,14H,2-7H2,1H3/t9-/m1/s1.
What are the key properties of (2S)-4,4,4-trifluoro-N-methyl-2-(oxan-4-yl)butan-1-amine?
(2S)-4,4,4-trifluoro-N-methyl-2-(oxan-4-yl)butan-1-amine has a molecular weight of 225.25 g/mol, XLogP of 2.20, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4,4,4-trifluoro-N-methyl-2-(oxan-4-yl)butan-1-amine is sourced from PubChem (CID 129494993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).