6,6,6-trifluoro-1-(furan-2-yl)hexan-3-amine

C10H14F3NO — CID 105156341

IUPAC6,6,6-trifluoro-1-(furan-2-yl)hexan-3-amine
SMILESNC(CCc1ccco1)CCC(F)(F)F
InChIInChI=1S/C10H14F3NO/c11-10(12,13)6-5-8(14)3-4-9-2-1-7-15-9/h1-2,7-8H,3-6,14H2
InChIKeyNGZPGZTZCGTJRC-UHFFFAOYSA-N
MW221.22 g/mol
LogP2.88
Rot. Bonds5

About 6,6,6-trifluoro-1-(furan-2-yl)hexan-3-amine

6,6,6-trifluoro-1-(furan-2-yl)hexan-3-amine (PubChem CID 105156341) has the molecular formula C10H14F3NO and a molecular weight of 221.22 g/mol. Its IUPAC name is 6,6,6-trifluoro-1-(furan-2-yl)hexan-3-amine.

Molecular Properties

Compound Name6,6,6-trifluoro-1-(furan-2-yl)hexan-3-amine
PubChem CID105156341
Molecular FormulaC10H14F3NO
Molecular Weight221.22 g/mol
Exact Mass221.10
IUPAC Name6,6,6-trifluoro-1-(furan-2-yl)hexan-3-amine
SMILESNC(CCc1ccco1)CCC(F)(F)F
InChIInChI=1S/C10H14F3NO/c11-10(12,13)6-5-8(14)3-4-9-2-1-7-15-9/h1-2,7-8H,3-6,14H2
InChIKeyNGZPGZTZCGTJRC-UHFFFAOYSA-N
XLogP2.88
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.22
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1,4-bis(furan-2-yl)butan-2-amine
CID 105177346
1-(4-fluorophenyl)-4-(furan-2-yl)butan-2-amine
CID 61079810
1-(furan-2-yl)-5-thiophen-3-ylpentan-3-amine
CID 105147818
3,3,3-trifluoro-N-[2-(furan-2-yl)ethyl]propan-1-amine
CID 60695393
(3R)-1-(furan-2-yl)-4-methylpentan-3-amine
CID 94915074
4-(furan-2-yl)-1-(4-methylphenyl)butan-2-amine
CID 61077814
1-(2-chloro-5-fluorophenyl)-4-(furan-2-yl)butan-2-amine
CID 102622645
2-(2,2,2-trifluoroethyl)furan
CID 67627445
1-(2,5-dimethylphenyl)-4-(furan-2-yl)butan-2-amine
CID 55087006
1-(3-fluorophenyl)-3-(furan-2-yl)propan-1-amine
CID 105092774
1-(5-bromo-2-pyridinyl)-4-(furan-2-yl)butan-2-amine
CID 105180938
[1-(furan-2-yl)-6-methoxy-6-methylheptan-3-yl]hydrazine
CID 103026261

Frequently Asked Questions

What is the IUPAC name of 6,6,6-trifluoro-1-(furan-2-yl)hexan-3-amine?
The IUPAC name of 6,6,6-trifluoro-1-(furan-2-yl)hexan-3-amine (CID 105156341) is 6,6,6-trifluoro-1-(furan-2-yl)hexan-3-amine.
What is the SMILES notation for 6,6,6-trifluoro-1-(furan-2-yl)hexan-3-amine?
The canonical SMILES for 6,6,6-trifluoro-1-(furan-2-yl)hexan-3-amine is NC(CCc1ccco1)CCC(F)(F)F.
What is the InChIKey of 6,6,6-trifluoro-1-(furan-2-yl)hexan-3-amine?
The InChIKey is NGZPGZTZCGTJRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3NO/c11-10(12,13)6-5-8(14)3-4-9-2-1-7-15-9/h1-2,7-8H,3-6,14H2.
What are the key properties of 6,6,6-trifluoro-1-(furan-2-yl)hexan-3-amine?
6,6,6-trifluoro-1-(furan-2-yl)hexan-3-amine has a molecular weight of 221.22 g/mol, XLogP of 2.88, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6,6-trifluoro-1-(furan-2-yl)hexan-3-amine is sourced from PubChem (CID 105156341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).