N-(2-chloroethyl)-N-(2,2-difluoroethyl)-3-(oxolan-2-yl)propan-1-amine

C11H20ClF2NO — CID 107487802

IUPACN-(2-chloroethyl)-N-(2,2-difluoroethyl)-3-(oxolan-2-yl)propan-1-amine
SMILESFC(F)CN(CCCl)CCCC1CCCO1
InChIInChI=1S/C11H20ClF2NO/c12-5-7-15(9-11(13)14)6-1-3-10-4-2-8-16-10/h10-11H,1-9H2
InChIKeyGRCKTFKVTCUHJK-UHFFFAOYSA-N
MW255.74 g/mol
LogP2.75
Rot. Bonds8

About N-(2-chloroethyl)-N-(2,2-difluoroethyl)-3-(oxolan-2-yl)propan-1-amine

N-(2-chloroethyl)-N-(2,2-difluoroethyl)-3-(oxolan-2-yl)propan-1-amine (PubChem CID 107487802) has the molecular formula C11H20ClF2NO and a molecular weight of 255.74 g/mol. Its IUPAC name is N-(2-chloroethyl)-N-(2,2-difluoroethyl)-3-(oxolan-2-yl)propan-1-amine.

Molecular Properties

Compound NameN-(2-chloroethyl)-N-(2,2-difluoroethyl)-3-(oxolan-2-yl)propan-1-amine
PubChem CID107487802
Molecular FormulaC11H20ClF2NO
Molecular Weight255.74 g/mol
Exact Mass255.12
IUPAC NameN-(2-chloroethyl)-N-(2,2-difluoroethyl)-3-(oxolan-2-yl)propan-1-amine
SMILESFC(F)CN(CCCl)CCCC1CCCO1
InChIInChI=1S/C11H20ClF2NO/c12-5-7-15(9-11(13)14)6-1-3-10-4-2-8-16-10/h10-11H,1-9H2
InChIKeyGRCKTFKVTCUHJK-UHFFFAOYSA-N
XLogP2.75
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.74
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-chloroethyl)-N-(2,2-difluoroethyl)-3-(oxolan-2-yl)propan-1-amine?
The IUPAC name of N-(2-chloroethyl)-N-(2,2-difluoroethyl)-3-(oxolan-2-yl)propan-1-amine (CID 107487802) is N-(2-chloroethyl)-N-(2,2-difluoroethyl)-3-(oxolan-2-yl)propan-1-amine.
What is the SMILES notation for N-(2-chloroethyl)-N-(2,2-difluoroethyl)-3-(oxolan-2-yl)propan-1-amine?
The canonical SMILES for N-(2-chloroethyl)-N-(2,2-difluoroethyl)-3-(oxolan-2-yl)propan-1-amine is FC(F)CN(CCCl)CCCC1CCCO1.
What is the InChIKey of N-(2-chloroethyl)-N-(2,2-difluoroethyl)-3-(oxolan-2-yl)propan-1-amine?
The InChIKey is GRCKTFKVTCUHJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20ClF2NO/c12-5-7-15(9-11(13)14)6-1-3-10-4-2-8-16-10/h10-11H,1-9H2.
What are the key properties of N-(2-chloroethyl)-N-(2,2-difluoroethyl)-3-(oxolan-2-yl)propan-1-amine?
N-(2-chloroethyl)-N-(2,2-difluoroethyl)-3-(oxolan-2-yl)propan-1-amine has a molecular weight of 255.74 g/mol, XLogP of 2.75, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloroethyl)-N-(2,2-difluoroethyl)-3-(oxolan-2-yl)propan-1-amine is sourced from PubChem (CID 107487802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).