4,4,4-trifluoro-1-(2-methyloxolan-3-yl)butan-1-amine

C9H16F3NO — CID 104992912

IUPAC4,4,4-trifluoro-1-(2-methyloxolan-3-yl)butan-1-amine
SMILESCC1OCCC1C(N)CCC(F)(F)F
InChIInChI=1S/C9H16F3NO/c1-6-7(3-5-14-6)8(13)2-4-9(10,11)12/h6-8H,2-5,13H2,1H3
InChIKeyNVONPQUJUVWTBH-UHFFFAOYSA-N
MW211.23 g/mol
LogP2.08
Rot. Bonds3

About 4,4,4-trifluoro-1-(2-methyloxolan-3-yl)butan-1-amine

4,4,4-trifluoro-1-(2-methyloxolan-3-yl)butan-1-amine (PubChem CID 104992912) has the molecular formula C9H16F3NO and a molecular weight of 211.23 g/mol. Its IUPAC name is 4,4,4-trifluoro-1-(2-methyloxolan-3-yl)butan-1-amine.

Molecular Properties

Compound Name4,4,4-trifluoro-1-(2-methyloxolan-3-yl)butan-1-amine
PubChem CID104992912
Molecular FormulaC9H16F3NO
Molecular Weight211.23 g/mol
Exact Mass211.12
IUPAC Name4,4,4-trifluoro-1-(2-methyloxolan-3-yl)butan-1-amine
SMILESCC1OCCC1C(N)CCC(F)(F)F
InChIInChI=1S/C9H16F3NO/c1-6-7(3-5-14-6)8(13)2-4-9(10,11)12/h6-8H,2-5,13H2,1H3
InChIKeyNVONPQUJUVWTBH-UHFFFAOYSA-N
XLogP2.08
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
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

1-Cyclohexyl-4,4-difluoro-5-propan-2-yloxypentan-2-amine
CID 54123882
(2R)-1,3,3-trifluoro-2-methyl-3-(oxolan-2-yl)propan-1-amine
CID 166889514
4,4,4-Trifluoro-3-(2-methylcyclohexyl)oxybutan-1-amine
CID 43753308
3-(2-Ethylhexoxy)-4,4,4-trifluorobutan-1-amine
CID 43753333
2-[2-(2,2,2-Trifluoroethoxy)ethyl]cyclopentan-1-amine
CID 61490905
3-(2-Ethylhexoxy)-4,4,4-trifluorobutan-2-amine
CID 61647949
2-(2-Ethylhexoxy)-1,1,1-trifluoropentan-3-amine
CID 61647950
3-(Cyclohexylmethoxy)-4,4,4-trifluorobutan-1-amine
CID 62383874
6-Methyl-1-(2,2,2-trifluoroethoxy)heptan-4-amine
CID 62599900
4-Methyl-6-(2,2,2-trifluoroethoxy)hexan-3-amine
CID 63562076
3,3,3-Trifluoro-1-(oxolan-3-yl)propan-1-amine
CID 63562852
4-Methyl-7-(2,2,2-trifluoroethoxy)heptan-2-amine
CID 64718517

Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-1-(2-methyloxolan-3-yl)butan-1-amine?
The IUPAC name of 4,4,4-trifluoro-1-(2-methyloxolan-3-yl)butan-1-amine (CID 104992912) is 4,4,4-trifluoro-1-(2-methyloxolan-3-yl)butan-1-amine.
What is the SMILES notation for 4,4,4-trifluoro-1-(2-methyloxolan-3-yl)butan-1-amine?
The canonical SMILES for 4,4,4-trifluoro-1-(2-methyloxolan-3-yl)butan-1-amine is CC1OCCC1C(N)CCC(F)(F)F.
What is the InChIKey of 4,4,4-trifluoro-1-(2-methyloxolan-3-yl)butan-1-amine?
The InChIKey is NVONPQUJUVWTBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3NO/c1-6-7(3-5-14-6)8(13)2-4-9(10,11)12/h6-8H,2-5,13H2,1H3.
What are the key properties of 4,4,4-trifluoro-1-(2-methyloxolan-3-yl)butan-1-amine?
4,4,4-trifluoro-1-(2-methyloxolan-3-yl)butan-1-amine has a molecular weight of 211.23 g/mol, XLogP of 2.08, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-1-(2-methyloxolan-3-yl)butan-1-amine is sourced from PubChem (CID 104992912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).