(1S)-4,4,4-trifluoro-1-(5-methylfuran-2-yl)butan-1-amine

C9H12F3NO — CID 171231975

IUPAC(1S)-4,4,4-trifluoro-1-(5-methylfuran-2-yl)butan-1-amine
SMILESCc1ccc([C@@H](N)CCC(F)(F)F)o1
InChIInChI=1S/C9H12F3NO/c1-6-2-3-8(14-6)7(13)4-5-9(10,11)12/h2-3,7H,4-5,13H2,1H3/t7-/m0/s1
InChIKeyGMPMESBBEKJVBI-ZETCQYMHSA-N
MW207.19 g/mol
LogP2.93
Rot. Bonds3

About (1S)-4,4,4-trifluoro-1-(5-methylfuran-2-yl)butan-1-amine

(1S)-4,4,4-trifluoro-1-(5-methylfuran-2-yl)butan-1-amine (PubChem CID 171231975) has the molecular formula C9H12F3NO and a molecular weight of 207.19 g/mol. Its IUPAC name is (1S)-4,4,4-trifluoro-1-(5-methylfuran-2-yl)butan-1-amine.

Molecular Properties

Compound Name(1S)-4,4,4-trifluoro-1-(5-methylfuran-2-yl)butan-1-amine
PubChem CID171231975
Molecular FormulaC9H12F3NO
Molecular Weight207.19 g/mol
Exact Mass207.09
IUPAC Name(1S)-4,4,4-trifluoro-1-(5-methylfuran-2-yl)butan-1-amine
SMILESCc1ccc([C@@H](N)CCC(F)(F)F)o1
InChIInChI=1S/C9H12F3NO/c1-6-2-3-8(14-6)7(13)4-5-9(10,11)12/h2-3,7H,4-5,13H2,1H3/t7-/m0/s1
InChIKeyGMPMESBBEKJVBI-ZETCQYMHSA-N
XLogP2.93
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.19
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-4,4,4-trifluoro-1-(5-methylfuran-2-yl)butan-1-amine
CID 171212372
3,3-dimethyl-1-(5-methylfuran-2-yl)butan-1-amine;ethane;3,3,3-trifluoro-1-(5-methylfuran-2-yl)propan-1-amine
CID 142810436
(1S)-1-(5-bromofuran-2-yl)-4,4,4-trifluorobutan-1-amine;hydrochloride
CID 171219567
(1S)-2-fluoro-1-(5-methylfuran-2-yl)ethanamine;hydrochloride
CID 171212357
ethane;(1R)-1-(5-methylfuran-2-yl)propan-1-amine
CID 142856729
[5-[(1S)-1-amino-4,4,4-trifluorobutyl]furan-2-yl]methanol
CID 171231086
(1S)-1-(5-methylfuran-2-yl)pentane-1,5-diamine
CID 171231965
1-(5-methylfuran-2-yl)hexan-1-amine;hydrochloride
CID 86262852
N'-methyl-1-(5-methylfuran-2-yl)butane-1,4-diamine
CID 116933940
4-amino-4-(5-methylfuran-2-yl)butanenitrile
CID 116940083
2-ethoxy-1-(5-methylfuran-2-yl)ethanamine
CID 16793106
4-methoxy-1-(5-methylfuran-2-yl)butan-1-amine
CID 105054856

Frequently Asked Questions

What is the IUPAC name of (1S)-4,4,4-trifluoro-1-(5-methylfuran-2-yl)butan-1-amine?
The IUPAC name of (1S)-4,4,4-trifluoro-1-(5-methylfuran-2-yl)butan-1-amine (CID 171231975) is (1S)-4,4,4-trifluoro-1-(5-methylfuran-2-yl)butan-1-amine.
What is the SMILES notation for (1S)-4,4,4-trifluoro-1-(5-methylfuran-2-yl)butan-1-amine?
The canonical SMILES for (1S)-4,4,4-trifluoro-1-(5-methylfuran-2-yl)butan-1-amine is Cc1ccc([C@@H](N)CCC(F)(F)F)o1.
What is the InChIKey of (1S)-4,4,4-trifluoro-1-(5-methylfuran-2-yl)butan-1-amine?
The InChIKey is GMPMESBBEKJVBI-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H12F3NO/c1-6-2-3-8(14-6)7(13)4-5-9(10,11)12/h2-3,7H,4-5,13H2,1H3/t7-/m0/s1.
What are the key properties of (1S)-4,4,4-trifluoro-1-(5-methylfuran-2-yl)butan-1-amine?
(1S)-4,4,4-trifluoro-1-(5-methylfuran-2-yl)butan-1-amine has a molecular weight of 207.19 g/mol, XLogP of 2.93, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-4,4,4-trifluoro-1-(5-methylfuran-2-yl)butan-1-amine is sourced from PubChem (CID 171231975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).