N-ethyl-4,4-difluoro-3-methylbut-3-en-1-amine

C7H13F2N — CID 145467910

IUPACN-ethyl-4,4-difluoro-3-methylbut-3-en-1-amine
SMILESCCNCCC(C)=C(F)F
InChIInChI=1S/C7H13F2N/c1-3-10-5-4-6(2)7(8)9/h10H,3-5H2,1-2H3
InChIKeyMRKUQPPWNYNVBZ-UHFFFAOYSA-N
MW149.18 g/mol
LogP2.16
Rot. Bonds4

About N-ethyl-4,4-difluoro-3-methylbut-3-en-1-amine

N-ethyl-4,4-difluoro-3-methylbut-3-en-1-amine (PubChem CID 145467910) has the molecular formula C7H13F2N and a molecular weight of 149.18 g/mol. Its IUPAC name is N-ethyl-4,4-difluoro-3-methylbut-3-en-1-amine.

Molecular Properties

Compound NameN-ethyl-4,4-difluoro-3-methylbut-3-en-1-amine
PubChem CID145467910
Molecular FormulaC7H13F2N
Molecular Weight149.18 g/mol
Exact Mass149.10
IUPAC NameN-ethyl-4,4-difluoro-3-methylbut-3-en-1-amine
SMILESCCNCCC(C)=C(F)F
InChIInChI=1S/C7H13F2N/c1-3-10-5-4-6(2)7(8)9/h10H,3-5H2,1-2H3
InChIKeyMRKUQPPWNYNVBZ-UHFFFAOYSA-N
XLogP2.16
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.18
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-N',3-dimethylhex-3-ene-1,6-diamine
CID 91413458
N-ethyl-3-methylidenepentan-1-amine
CID 66038993
3-(ethylamino)propanoic acid;hydrochloride
CID 86759576
ethane;3-(ethylamino)propanamide
CID 156743022
N-ethyl-3-[4-(ethylamino)but-1-en-2-yloxy]but-3-en-1-amine
CID 57090165
2-(ethylamino)ethanol
CID 170923531
1,1-difluoro-2-methyl-5-methylideneoct-1-ene
CID 58962882
3-(ethylamino)-N,N-dimethylpropanamide
CID 60926487
3-(ethylamino)propanoic acid;methane;propanoic acid
CID 174356435
2-(ethylamino)ethanol;hydrate
CID 174456532
N-ethyl-2-fluoroethanamine;hydrochloride
CID 19832652
N-ethyl-N'-[4-[4-(ethylamino)butylamino]butyl]pentane-1,5-diamine;N-ethyl-N'-[4-[3-(ethylamino)propylamino]butyl]butane-1,4-diamine;N-ethyl-N'-[3-[3-(ethylamino)propylamino]propyl]butane-1,4-diamine
CID 159678925

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4,4-difluoro-3-methylbut-3-en-1-amine?
The IUPAC name of N-ethyl-4,4-difluoro-3-methylbut-3-en-1-amine (CID 145467910) is N-ethyl-4,4-difluoro-3-methylbut-3-en-1-amine.
What is the SMILES notation for N-ethyl-4,4-difluoro-3-methylbut-3-en-1-amine?
The canonical SMILES for N-ethyl-4,4-difluoro-3-methylbut-3-en-1-amine is CCNCCC(C)=C(F)F.
What is the InChIKey of N-ethyl-4,4-difluoro-3-methylbut-3-en-1-amine?
The InChIKey is MRKUQPPWNYNVBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F2N/c1-3-10-5-4-6(2)7(8)9/h10H,3-5H2,1-2H3.
What are the key properties of N-ethyl-4,4-difluoro-3-methylbut-3-en-1-amine?
N-ethyl-4,4-difluoro-3-methylbut-3-en-1-amine has a molecular weight of 149.18 g/mol, XLogP of 2.16, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4,4-difluoro-3-methylbut-3-en-1-amine is sourced from PubChem (CID 145467910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).