1-fluoro-N'-(1-fluoro-3-methyl-2-prop-1-en-2-ylpentyl)methanediamine

C10H20F2N2 — CID 163821883

IUPAC1-fluoro-N'-(1-fluoro-3-methyl-2-prop-1-en-2-ylpentyl)methanediamine
SMILESC=C(C)C(C(C)CC)C(F)NC(N)F
InChIInChI=1S/C10H20F2N2/c1-5-7(4)8(6(2)3)9(11)14-10(12)13/h7-10,14H,2,5,13H2,1,3-4H3
InChIKeyNWCQLBYSTWGDMW-UHFFFAOYSA-N
MW206.28 g/mol
LogP2.32
Rot. Bonds6

About 1-fluoro-N'-(1-fluoro-3-methyl-2-prop-1-en-2-ylpentyl)methanediamine

1-fluoro-N'-(1-fluoro-3-methyl-2-prop-1-en-2-ylpentyl)methanediamine (PubChem CID 163821883) has the molecular formula C10H20F2N2 and a molecular weight of 206.28 g/mol. Its IUPAC name is 1-fluoro-N'-(1-fluoro-3-methyl-2-prop-1-en-2-ylpentyl)methanediamine.

Molecular Properties

Compound Name1-fluoro-N'-(1-fluoro-3-methyl-2-prop-1-en-2-ylpentyl)methanediamine
PubChem CID163821883
Molecular FormulaC10H20F2N2
Molecular Weight206.28 g/mol
Exact Mass206.16
IUPAC Name1-fluoro-N'-(1-fluoro-3-methyl-2-prop-1-en-2-ylpentyl)methanediamine
SMILESC=C(C)C(C(C)CC)C(F)NC(N)F
InChIInChI=1S/C10H20F2N2/c1-5-7(4)8(6(2)3)9(11)14-10(12)13/h7-10,14H,2,5,13H2,1,3-4H3
InChIKeyNWCQLBYSTWGDMW-UHFFFAOYSA-N
XLogP2.32
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.28
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

N'-(4-ethyl-5-fluoro-2-methylidenehexyl)pentane-1,5-diamine
CID 137469562
(E)-N'-(ethylaminomethyl)-N',3-dimethyl-2-(trifluoromethyl)pent-1-ene-1,5-diamine
CID 138508157
3-fluoro-N,2,3,4-tetramethylpent-4-en-1-amine
CID 163835903
1-N'-[(Z,5S)-8-fluoro-4,5-dimethyl-3-methylidenenon-6-enyl]ethene-1,1-diamine
CID 173866526
1-N'-(5-methyl-4-prop-2-enylhept-6-enyl)ethane-1,1-diamine
CID 91082347
(2R,3S)-3-ethyl-N,2,5-trimethylhex-5-en-1-amine
CID 130426335
1-N',3,4-trimethyl-2-methylidenepentane-1,1-diamine
CID 134254221
4-methyl-1-N'-(2-methylpentyl)pent-4-ene-1,1-diamine
CID 134546937
N'-(3-ethyl-4-methylpent-4-enyl)methanediamine;methanamine
CID 143332504
(3R)-N,3,4,5-tetramethylhex-5-en-1-amine
CID 163777684
1-N',4,5-trimethyl-2-methylidenehexane-1,1-diamine
CID 163857353
4-ethyl-N'-methyl-3-prop-1-en-2-ylhexane-1,6-diamine
CID 163926533

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-N'-(1-fluoro-3-methyl-2-prop-1-en-2-ylpentyl)methanediamine?
The IUPAC name of 1-fluoro-N'-(1-fluoro-3-methyl-2-prop-1-en-2-ylpentyl)methanediamine (CID 163821883) is 1-fluoro-N'-(1-fluoro-3-methyl-2-prop-1-en-2-ylpentyl)methanediamine.
What is the SMILES notation for 1-fluoro-N'-(1-fluoro-3-methyl-2-prop-1-en-2-ylpentyl)methanediamine?
The canonical SMILES for 1-fluoro-N'-(1-fluoro-3-methyl-2-prop-1-en-2-ylpentyl)methanediamine is C=C(C)C(C(C)CC)C(F)NC(N)F.
What is the InChIKey of 1-fluoro-N'-(1-fluoro-3-methyl-2-prop-1-en-2-ylpentyl)methanediamine?
The InChIKey is NWCQLBYSTWGDMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20F2N2/c1-5-7(4)8(6(2)3)9(11)14-10(12)13/h7-10,14H,2,5,13H2,1,3-4H3.
What are the key properties of 1-fluoro-N'-(1-fluoro-3-methyl-2-prop-1-en-2-ylpentyl)methanediamine?
1-fluoro-N'-(1-fluoro-3-methyl-2-prop-1-en-2-ylpentyl)methanediamine has a molecular weight of 206.28 g/mol, XLogP of 2.32, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-N'-(1-fluoro-3-methyl-2-prop-1-en-2-ylpentyl)methanediamine is sourced from PubChem (CID 163821883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).