N-(2-fluoroethyl)-N-prop-2-ynylpropan-1-amine

C8H14FN — CID 126994542

IUPACN-(2-fluoroethyl)-N-prop-2-ynylpropan-1-amine
SMILESC#CCN(CCC)CCF
InChIInChI=1S/C8H14FN/c1-3-6-10(7-4-2)8-5-9/h1H,4-8H2,2H3
InChIKeyGEBVRDDUEGVRLP-UHFFFAOYSA-N
MW143.21 g/mol
LogP1.30
Rot. Bonds5

About N-(2-fluoroethyl)-N-prop-2-ynylpropan-1-amine

N-(2-fluoroethyl)-N-prop-2-ynylpropan-1-amine (PubChem CID 126994542) has the molecular formula C8H14FN and a molecular weight of 143.21 g/mol. Its IUPAC name is N-(2-fluoroethyl)-N-prop-2-ynylpropan-1-amine.

Molecular Properties

Compound NameN-(2-fluoroethyl)-N-prop-2-ynylpropan-1-amine
PubChem CID126994542
Molecular FormulaC8H14FN
Molecular Weight143.21 g/mol
Exact Mass143.11
IUPAC NameN-(2-fluoroethyl)-N-prop-2-ynylpropan-1-amine
SMILESC#CCN(CCC)CCF
InChIInChI=1S/C8H14FN/c1-3-6-10(7-4-2)8-5-9/h1H,4-8H2,2H3
InChIKeyGEBVRDDUEGVRLP-UHFFFAOYSA-N
XLogP1.30
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.21
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-(2-fluoroethyl)-N-prop-2-ynylpropan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[propyl(prop-2-ynyl)amino]propanenitrile
CID 135209748
N-(2-fluoroethyl)-3-methyl-N-propylbutan-1-amine
CID 145053762
N-(oxiran-2-ylmethyl)-N-prop-2-ynylpropan-1-amine
CID 165349516
3-fluoro-N,N-dipropylpropan-1-amine
CID 87847848
2-N-propyl-2-N-prop-2-ynylpentane-1,2-diamine
CID 83044234
N-(2-chloroethyl)-N-ethylprop-2-yn-1-amine
CID 55302834
N-[(4-bromophenyl)methyl]-N-prop-2-ynylpropan-1-amine
CID 155545695
2-[propyl(prop-2-ynyl)amino]-1-pyrrolidin-1-ylethanone
CID 170289305
N,N-dipropylpropan-1-amine;pentahydrochloride
CID 172789957
Tripropylamineborane
CID 21315686
N,N-dipropylpropan-1-amine;propane
CID 174574210
N-prop-2-ynyl-N-[[4-(trifluoromethoxy)phenyl]methyl]propan-1-amine
CID 87520664

Frequently Asked Questions

What is the IUPAC name of N-(2-fluoroethyl)-N-prop-2-ynylpropan-1-amine?
The IUPAC name of N-(2-fluoroethyl)-N-prop-2-ynylpropan-1-amine (CID 126994542) is N-(2-fluoroethyl)-N-prop-2-ynylpropan-1-amine.
What is the SMILES notation for N-(2-fluoroethyl)-N-prop-2-ynylpropan-1-amine?
The canonical SMILES for N-(2-fluoroethyl)-N-prop-2-ynylpropan-1-amine is C#CCN(CCC)CCF.
What is the InChIKey of N-(2-fluoroethyl)-N-prop-2-ynylpropan-1-amine?
The InChIKey is GEBVRDDUEGVRLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14FN/c1-3-6-10(7-4-2)8-5-9/h1H,4-8H2,2H3.
What are the key properties of N-(2-fluoroethyl)-N-prop-2-ynylpropan-1-amine?
N-(2-fluoroethyl)-N-prop-2-ynylpropan-1-amine has a molecular weight of 143.21 g/mol, XLogP of 1.30, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoroethyl)-N-prop-2-ynylpropan-1-amine is sourced from PubChem (CID 126994542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).