1,1,1-trifluoro-3-(furan-3-yl)-N-propylpropan-2-amine

C10H14F3NO — CID 105030039

IUPAC1,1,1-trifluoro-3-(furan-3-yl)-N-propylpropan-2-amine
SMILESCCCNC(Cc1ccoc1)C(F)(F)F
InChIInChI=1S/C10H14F3NO/c1-2-4-14-9(10(11,12)13)6-8-3-5-15-7-8/h3,5,7,9,14H,2,4,6H2,1H3
InChIKeyDEXCABDAPPNYRV-UHFFFAOYSA-N
MW221.22 g/mol
LogP2.75
Rot. Bonds5

About 1,1,1-trifluoro-3-(furan-3-yl)-N-propylpropan-2-amine

1,1,1-trifluoro-3-(furan-3-yl)-N-propylpropan-2-amine (PubChem CID 105030039) has the molecular formula C10H14F3NO and a molecular weight of 221.22 g/mol. Its IUPAC name is 1,1,1-trifluoro-3-(furan-3-yl)-N-propylpropan-2-amine.

Molecular Properties

Compound Name1,1,1-trifluoro-3-(furan-3-yl)-N-propylpropan-2-amine
PubChem CID105030039
Molecular FormulaC10H14F3NO
Molecular Weight221.22 g/mol
Exact Mass221.10
IUPAC Name1,1,1-trifluoro-3-(furan-3-yl)-N-propylpropan-2-amine
SMILESCCCNC(Cc1ccoc1)C(F)(F)F
InChIInChI=1S/C10H14F3NO/c1-2-4-14-9(10(11,12)13)6-8-3-5-15-7-8/h3,5,7,9,14H,2,4,6H2,1H3
InChIKeyDEXCABDAPPNYRV-UHFFFAOYSA-N
XLogP2.75
TPSA25.17 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 ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-ethoxy-1-(furan-3-yl)-3-methyl-N-propylbutan-2-amine
CID 116727069
[1,1,1-trifluoro-3-(furan-3-yl)propan-2-yl]hydrazine
CID 105215669
4-(furan-3-yl)-1-N,1-N-dimethyl-3-N-propylbutane-1,3-diamine
CID 83182973
1,1,1-trifluoro-N-propyl-3-pyridin-3-ylpropan-2-amine
CID 66468598
N-[1-(furan-2-yl)-2-(furan-3-yl)ethyl]propan-1-amine
CID 83175419
1-(furan-3-yl)-3-methoxy-N-propylpentan-2-amine
CID 116715979
3-(4-chloro-3-fluorophenyl)-1,1,1-trifluoro-N-propylpropan-2-amine
CID 114013366
3-(furan-3-yl)-2-methyl-1-phenyl-N-propylpropan-1-amine
CID 104845575
[1-(furan-3-yl)-3-methoxy-3-methylpentan-2-yl]hydrazine
CID 105274402
N-[1-(2-fluoro-6-methoxyphenyl)-2-(furan-3-yl)ethyl]propan-1-amine
CID 83182367
1-(4-fluorophenyl)sulfanyl-3-(furan-3-yl)-N-propylpropan-2-amine
CID 83176061
N-[2-(furan-3-yl)-1-(oxan-4-yl)ethyl]propan-1-amine
CID 83175844

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-3-(furan-3-yl)-N-propylpropan-2-amine?
The IUPAC name of 1,1,1-trifluoro-3-(furan-3-yl)-N-propylpropan-2-amine (CID 105030039) is 1,1,1-trifluoro-3-(furan-3-yl)-N-propylpropan-2-amine.
What is the SMILES notation for 1,1,1-trifluoro-3-(furan-3-yl)-N-propylpropan-2-amine?
The canonical SMILES for 1,1,1-trifluoro-3-(furan-3-yl)-N-propylpropan-2-amine is CCCNC(Cc1ccoc1)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-3-(furan-3-yl)-N-propylpropan-2-amine?
The InChIKey is DEXCABDAPPNYRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3NO/c1-2-4-14-9(10(11,12)13)6-8-3-5-15-7-8/h3,5,7,9,14H,2,4,6H2,1H3.
What are the key properties of 1,1,1-trifluoro-3-(furan-3-yl)-N-propylpropan-2-amine?
1,1,1-trifluoro-3-(furan-3-yl)-N-propylpropan-2-amine has a molecular weight of 221.22 g/mol, XLogP of 2.75, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-3-(furan-3-yl)-N-propylpropan-2-amine is sourced from PubChem (CID 105030039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).