1,1,1-trifluoro-N-propylhex-4-yn-2-amine

C9H14F3N — CID 115819818

IUPAC1,1,1-trifluoro-N-propylhex-4-yn-2-amine
SMILESCC#CCC(NCCC)C(F)(F)F
InChIInChI=1S/C9H14F3N/c1-3-5-6-8(9(10,11)12)13-7-4-2/h8,13H,4,6-7H2,1-2H3
InChIKeyLHCICANTHDEDTM-UHFFFAOYSA-N
MW193.21 g/mol
LogP2.33
Rot. Bonds4

About 1,1,1-trifluoro-N-propylhex-4-yn-2-amine

1,1,1-trifluoro-N-propylhex-4-yn-2-amine (PubChem CID 115819818) has the molecular formula C9H14F3N and a molecular weight of 193.21 g/mol. Its IUPAC name is 1,1,1-trifluoro-N-propylhex-4-yn-2-amine.

Molecular Properties

Compound Name1,1,1-trifluoro-N-propylhex-4-yn-2-amine
PubChem CID115819818
Molecular FormulaC9H14F3N
Molecular Weight193.21 g/mol
Exact Mass193.11
IUPAC Name1,1,1-trifluoro-N-propylhex-4-yn-2-amine
SMILESCC#CCC(NCCC)C(F)(F)F
InChIInChI=1S/C9H14F3N/c1-3-5-6-8(9(10,11)12)13-7-4-2/h8,13H,4,6-7H2,1-2H3
InChIKeyLHCICANTHDEDTM-UHFFFAOYSA-N
XLogP2.33
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.21
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

2-ethoxy-2-methyl-N-propylhept-5-yn-3-amine
CID 116727243
3-ethoxy-3-ethyl-N-propyloct-6-yn-4-amine
CID 116760435
1,1,1-trifluoro-N-propyloct-6-yn-4-amine
CID 79964063
3-N,3-N-diethyl-3-methyl-4-N-propyloct-6-yne-3,4-diamine
CID 79068530
(2S)-1,1,1-trifluoro-3-iodo-N-propylpropan-2-amine
CID 159756276
2-methyl-N-propylhept-5-yn-3-amine
CID 62312371
1,1,1-trifluoro-N-propylheptan-2-amine
CID 66205587
3-ethyl-N-propyloct-6-yn-4-amine
CID 115819984
1,1,1-trifluoro-N-propylhept-6-yn-2-amine
CID 105033987
3-cyclopropyl-1,1,1-trifluoro-N-propylpropan-2-amine
CID 115692645
N-propyl-1-(2,2,3,3-tetrafluoropropoxy)hex-4-yn-2-amine
CID 103475962
1-(2,6-difluorophenyl)-N-propylpent-3-yn-1-amine
CID 79522889

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-N-propylhex-4-yn-2-amine?
The IUPAC name of 1,1,1-trifluoro-N-propylhex-4-yn-2-amine (CID 115819818) is 1,1,1-trifluoro-N-propylhex-4-yn-2-amine.
What is the SMILES notation for 1,1,1-trifluoro-N-propylhex-4-yn-2-amine?
The canonical SMILES for 1,1,1-trifluoro-N-propylhex-4-yn-2-amine is CC#CCC(NCCC)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-N-propylhex-4-yn-2-amine?
The InChIKey is LHCICANTHDEDTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3N/c1-3-5-6-8(9(10,11)12)13-7-4-2/h8,13H,4,6-7H2,1-2H3.
What are the key properties of 1,1,1-trifluoro-N-propylhex-4-yn-2-amine?
1,1,1-trifluoro-N-propylhex-4-yn-2-amine has a molecular weight of 193.21 g/mol, XLogP of 2.33, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-N-propylhex-4-yn-2-amine is sourced from PubChem (CID 115819818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).