(Z)-1-N-(3-fluoropropyl)prop-1-ene-1,2-diamine

C6H13FN2 — CID 155330138

IUPAC(Z)-1-N-(3-fluoropropyl)prop-1-ene-1,2-diamine
SMILESC/C(N)=C/NCCCF
InChIInChI=1S/C6H13FN2/c1-6(8)5-9-4-2-3-7/h5,9H,2-4,8H2,1H3/b6-5-
InChIKeyGGQQZOBWDJIGAZ-WAYWQWQTSA-N
MW132.18 g/mol
LogP0.76
Rot. Bonds4

About (Z)-1-N-(3-fluoropropyl)prop-1-ene-1,2-diamine

(Z)-1-N-(3-fluoropropyl)prop-1-ene-1,2-diamine (PubChem CID 155330138) has the molecular formula C6H13FN2 and a molecular weight of 132.18 g/mol. Its IUPAC name is (Z)-1-N-(3-fluoropropyl)prop-1-ene-1,2-diamine.

Molecular Properties

Compound Name(Z)-1-N-(3-fluoropropyl)prop-1-ene-1,2-diamine
PubChem CID155330138
Molecular FormulaC6H13FN2
Molecular Weight132.18 g/mol
Exact Mass132.11
IUPAC Name(Z)-1-N-(3-fluoropropyl)prop-1-ene-1,2-diamine
SMILESC/C(N)=C/NCCCF
InChIInChI=1S/C6H13FN2/c1-6(8)5-9-4-2-3-7/h5,9H,2-4,8H2,1H3/b6-5-
InChIKeyGGQQZOBWDJIGAZ-WAYWQWQTSA-N
XLogP0.76
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.18
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-fluoro-N-propylbut-1-en-2-amine
CID 88874456
(1E)-2-fluoro-3-N-methylbuta-1,3-diene-1,3-diamine
CID 89427091
(Z)-N-ethyl-2-fluoroprop-1-ene-1,3-diamine
CID 118973109
(Z)-3,3,3-trifluoro-1-N,2-N-dimethylprop-1-ene-1,2-diamine
CID 129158230
(Z)-2-fluoro-N-prop-1-en-2-ylprop-1-en-1-amine
CID 131999490
N-(3-fluoroprop-1-en-2-yl)-2-methylpropan-1-amine
CID 139429986
N-(2-fluoroethyl)prop-1-en-2-amine
CID 143207230
(Z)-3,3-difluoro-2-N-methylprop-1-ene-1,2-diamine
CID 145303680
(Z)-2-N-(4-fluoropentan-2-yl)prop-1-ene-1,2-diamine
CID 146266307
(E)-1-N-ethyl-1-fluoro-2-N-methylprop-1-ene-1,2-diamine
CID 146392671
(Z)-3,3,3-trifluoro-2-N-methyl-1-N-propan-2-ylprop-1-ene-1,2-diamine
CID 154953422
(Z)-1-N-ethyl-3,3,3-trifluoro-2-N-methylprop-1-ene-1,2-diamine
CID 154953461

Frequently Asked Questions

What is the IUPAC name of (Z)-1-N-(3-fluoropropyl)prop-1-ene-1,2-diamine?
The IUPAC name of (Z)-1-N-(3-fluoropropyl)prop-1-ene-1,2-diamine (CID 155330138) is (Z)-1-N-(3-fluoropropyl)prop-1-ene-1,2-diamine.
What is the SMILES notation for (Z)-1-N-(3-fluoropropyl)prop-1-ene-1,2-diamine?
The canonical SMILES for (Z)-1-N-(3-fluoropropyl)prop-1-ene-1,2-diamine is C/C(N)=C/NCCCF.
What is the InChIKey of (Z)-1-N-(3-fluoropropyl)prop-1-ene-1,2-diamine?
The InChIKey is GGQQZOBWDJIGAZ-WAYWQWQTSA-N. The full InChI is InChI=1S/C6H13FN2/c1-6(8)5-9-4-2-3-7/h5,9H,2-4,8H2,1H3/b6-5-.
What are the key properties of (Z)-1-N-(3-fluoropropyl)prop-1-ene-1,2-diamine?
(Z)-1-N-(3-fluoropropyl)prop-1-ene-1,2-diamine has a molecular weight of 132.18 g/mol, XLogP of 0.76, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-N-(3-fluoropropyl)prop-1-ene-1,2-diamine is sourced from PubChem (CID 155330138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).