3-chloro-N-[2-(2,2-difluoroethoxy)ethyl]-2-methylprop-2-en-1-amine

C8H14ClF2NO — CID 106438286

IUPAC3-chloro-N-[2-(2,2-difluoroethoxy)ethyl]-2-methylprop-2-en-1-amine
SMILESCC(=CCl)CNCCOCC(F)F
InChIInChI=1S/C8H14ClF2NO/c1-7(4-9)5-12-2-3-13-6-8(10)11/h4,8,12H,2-3,5-6H2,1H3
InChIKeyDDSZHFVXEZYJOT-UHFFFAOYSA-N
MW213.65 g/mol
LogP2.00
Rot. Bonds7

About 3-chloro-N-[2-(2,2-difluoroethoxy)ethyl]-2-methylprop-2-en-1-amine

3-chloro-N-[2-(2,2-difluoroethoxy)ethyl]-2-methylprop-2-en-1-amine (PubChem CID 106438286) has the molecular formula C8H14ClF2NO and a molecular weight of 213.65 g/mol. Its IUPAC name is 3-chloro-N-[2-(2,2-difluoroethoxy)ethyl]-2-methylprop-2-en-1-amine.

Molecular Properties

Compound Name3-chloro-N-[2-(2,2-difluoroethoxy)ethyl]-2-methylprop-2-en-1-amine
PubChem CID106438286
Molecular FormulaC8H14ClF2NO
Molecular Weight213.65 g/mol
Exact Mass213.07
IUPAC Name3-chloro-N-[2-(2,2-difluoroethoxy)ethyl]-2-methylprop-2-en-1-amine
SMILESCC(=CCl)CNCCOCC(F)F
InChIInChI=1S/C8H14ClF2NO/c1-7(4-9)5-12-2-3-13-6-8(10)11/h4,8,12H,2-3,5-6H2,1H3
InChIKeyDDSZHFVXEZYJOT-UHFFFAOYSA-N
XLogP2.00
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.65
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(2,2-difluoroethoxy)-N-methylethanamine
CID 58684435
N-(3-chloro-2-methylprop-2-enyl)-3-methylsulfanylbutan-1-amine
CID 106438114
3-chloro-2-methyl-N-(2-methylpropoxy)prop-2-en-1-amine
CID 106437994
3-chloro-N-methoxy-2-methylprop-2-en-1-amine
CID 106437820
3-chloro-N-(cyclopropylmethyl)-2-methylprop-2-en-1-amine
CID 106437274
3-chloro-2-methyl-N-(3-methylsulfanylpropyl)prop-2-en-1-amine
CID 106437778
(E)-3-chloro-N-[2-(4-methoxyphenyl)ethyl]-2-methylprop-2-en-1-amine
CID 106437319
3-[(3-chloro-2-methylprop-2-enyl)amino]-N-(2-methoxyethyl)propanamide
CID 106438054
1-[[2-(2,2-difluoroethoxy)ethylamino]methyl]cyclohexan-1-ol
CID 103080616
1-[2-(2,2-difluoroethoxy)ethyl]-3-propylurea
CID 103082293
2-[2-[2-[2-[2-(2,2-difluoroethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-1,1-difluoroethane
CID 170162541
N-[2-(2,2-difluoroethoxy)ethyl]butan-2-amine
CID 82009436

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[2-(2,2-difluoroethoxy)ethyl]-2-methylprop-2-en-1-amine?
The IUPAC name of 3-chloro-N-[2-(2,2-difluoroethoxy)ethyl]-2-methylprop-2-en-1-amine (CID 106438286) is 3-chloro-N-[2-(2,2-difluoroethoxy)ethyl]-2-methylprop-2-en-1-amine.
What is the SMILES notation for 3-chloro-N-[2-(2,2-difluoroethoxy)ethyl]-2-methylprop-2-en-1-amine?
The canonical SMILES for 3-chloro-N-[2-(2,2-difluoroethoxy)ethyl]-2-methylprop-2-en-1-amine is CC(=CCl)CNCCOCC(F)F.
What is the InChIKey of 3-chloro-N-[2-(2,2-difluoroethoxy)ethyl]-2-methylprop-2-en-1-amine?
The InChIKey is DDSZHFVXEZYJOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14ClF2NO/c1-7(4-9)5-12-2-3-13-6-8(10)11/h4,8,12H,2-3,5-6H2,1H3.
What are the key properties of 3-chloro-N-[2-(2,2-difluoroethoxy)ethyl]-2-methylprop-2-en-1-amine?
3-chloro-N-[2-(2,2-difluoroethoxy)ethyl]-2-methylprop-2-en-1-amine has a molecular weight of 213.65 g/mol, XLogP of 2.00, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[2-(2,2-difluoroethoxy)ethyl]-2-methylprop-2-en-1-amine is sourced from PubChem (CID 106438286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).