N-(2-chloroethyl)-N-(2,2-difluoroethyl)-3-fluoropropan-1-amine

C7H13ClF3N — CID 107488033

IUPACN-(2-chloroethyl)-N-(2,2-difluoroethyl)-3-fluoropropan-1-amine
SMILESFCCCN(CCCl)CC(F)F
InChIInChI=1S/C7H13ClF3N/c8-2-5-12(4-1-3-9)6-7(10)11/h7H,1-6H2
InChIKeyBDETWMHNLVSFGR-UHFFFAOYSA-N
MW203.63 g/mol
LogP2.15
Rot. Bonds7

About N-(2-chloroethyl)-N-(2,2-difluoroethyl)-3-fluoropropan-1-amine

N-(2-chloroethyl)-N-(2,2-difluoroethyl)-3-fluoropropan-1-amine (PubChem CID 107488033) has the molecular formula C7H13ClF3N and a molecular weight of 203.63 g/mol. Its IUPAC name is N-(2-chloroethyl)-N-(2,2-difluoroethyl)-3-fluoropropan-1-amine.

Molecular Properties

Compound NameN-(2-chloroethyl)-N-(2,2-difluoroethyl)-3-fluoropropan-1-amine
PubChem CID107488033
Molecular FormulaC7H13ClF3N
Molecular Weight203.63 g/mol
Exact Mass203.07
IUPAC NameN-(2-chloroethyl)-N-(2,2-difluoroethyl)-3-fluoropropan-1-amine
SMILESFCCCN(CCCl)CC(F)F
InChIInChI=1S/C7H13ClF3N/c8-2-5-12(4-1-3-9)6-7(10)11/h7H,1-6H2
InChIKeyBDETWMHNLVSFGR-UHFFFAOYSA-N
XLogP2.15
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.63
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(2-chloroethyl)-N-(2,2-difluoroethyl)-3-ethylsulfonylpropan-1-amine
CID 107488098
N-(2-chloroethyl)-2,2-difluoro-N-(2-methylsulfanylethyl)ethanamine
CID 107487839
N-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-N-(2-chloroethyl)-2,2-difluoroethanamine
CID 107487933
N-(2-chloroethyl)-2,2-difluoro-N-[2-(trifluoromethylsulfanyl)ethyl]ethanamine
CID 107488038
N-(2-chloroethyl)-2,2-difluoro-N-[2-(2-methoxyethoxy)ethyl]ethanamine
CID 107487831
N-(2-chloroethyl)-2,2-difluoro-N-(2-thiophen-2-ylethyl)ethanamine
CID 107487797
N-(2-chloroethyl)-2,2-difluoro-N-[(4-fluorophenyl)methyl]ethanamine
CID 107487799
N'-(2,2-difluoroethyl)-N'-(3-pyrrolidin-1-ylpropyl)ethane-1,2-diamine
CID 107494588
N-(2-chloroethyl)-2,2-difluoro-N-[(4-methylphenyl)methyl]ethanamine
CID 107487986
N-(2-chloroethyl)-N-[(2,6-dimethylphenyl)methyl]-2,2-difluoroethanamine
CID 107487813
N-(2-chloroethyl)-2,2-difluoro-N-(thiophen-3-ylmethyl)ethanamine
CID 107487991
N-[(4-bromothiophen-2-yl)methyl]-N-(2-chloroethyl)-2,2-difluoroethanamine
CID 107487867

Frequently Asked Questions

What is the IUPAC name of N-(2-chloroethyl)-N-(2,2-difluoroethyl)-3-fluoropropan-1-amine?
The IUPAC name of N-(2-chloroethyl)-N-(2,2-difluoroethyl)-3-fluoropropan-1-amine (CID 107488033) is N-(2-chloroethyl)-N-(2,2-difluoroethyl)-3-fluoropropan-1-amine.
What is the SMILES notation for N-(2-chloroethyl)-N-(2,2-difluoroethyl)-3-fluoropropan-1-amine?
The canonical SMILES for N-(2-chloroethyl)-N-(2,2-difluoroethyl)-3-fluoropropan-1-amine is FCCCN(CCCl)CC(F)F.
What is the InChIKey of N-(2-chloroethyl)-N-(2,2-difluoroethyl)-3-fluoropropan-1-amine?
The InChIKey is BDETWMHNLVSFGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13ClF3N/c8-2-5-12(4-1-3-9)6-7(10)11/h7H,1-6H2.
What are the key properties of N-(2-chloroethyl)-N-(2,2-difluoroethyl)-3-fluoropropan-1-amine?
N-(2-chloroethyl)-N-(2,2-difluoroethyl)-3-fluoropropan-1-amine has a molecular weight of 203.63 g/mol, XLogP of 2.15, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloroethyl)-N-(2,2-difluoroethyl)-3-fluoropropan-1-amine is sourced from PubChem (CID 107488033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).