N-(2-chloroethyl)-2,2-difluoro-N-(oxan-2-ylmethyl)ethanamine

C10H18ClF2NO — CID 107487796

IUPACN-(2-chloroethyl)-2,2-difluoro-N-(oxan-2-ylmethyl)ethanamine
SMILESFC(F)CN(CCCl)CC1CCCCO1
InChIInChI=1S/C10H18ClF2NO/c11-4-5-14(8-10(12)13)7-9-3-1-2-6-15-9/h9-10H,1-8H2
InChIKeyYNXVNOCTMJFXFM-UHFFFAOYSA-N
MW241.71 g/mol
LogP2.36
Rot. Bonds6

About N-(2-chloroethyl)-2,2-difluoro-N-(oxan-2-ylmethyl)ethanamine

N-(2-chloroethyl)-2,2-difluoro-N-(oxan-2-ylmethyl)ethanamine (PubChem CID 107487796) has the molecular formula C10H18ClF2NO and a molecular weight of 241.71 g/mol. Its IUPAC name is N-(2-chloroethyl)-2,2-difluoro-N-(oxan-2-ylmethyl)ethanamine.

Molecular Properties

Compound NameN-(2-chloroethyl)-2,2-difluoro-N-(oxan-2-ylmethyl)ethanamine
PubChem CID107487796
Molecular FormulaC10H18ClF2NO
Molecular Weight241.71 g/mol
Exact Mass241.10
IUPAC NameN-(2-chloroethyl)-2,2-difluoro-N-(oxan-2-ylmethyl)ethanamine
SMILESFC(F)CN(CCCl)CC1CCCCO1
InChIInChI=1S/C10H18ClF2NO/c11-4-5-14(8-10(12)13)7-9-3-1-2-6-15-9/h9-10H,1-8H2
InChIKeyYNXVNOCTMJFXFM-UHFFFAOYSA-N
XLogP2.36
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.71
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-chloroethyl)-2,2-difluoro-N-(oxolan-2-ylmethyl)ethanamine
CID 107487790
N-(2-chloroethyl)-2,2-difluoro-N-[2-(oxolan-2-yl)ethyl]ethanamine
CID 107488072
N-(2-chloroethyl)-2,2-difluoro-N-[(5-methyloxolan-2-yl)methyl]ethanamine
CID 107488113
N-(2-chloroethyl)-2,2,2-trifluoro-N-(oxan-2-ylmethyl)ethanamine
CID 107488728
N-(2-chloroethyl)-2,2,2-trifluoro-N-[2-(oxolan-2-yl)ethyl]ethanamine
CID 107489139
N-(2-chloroethyl)-2,2,2-trifluoro-N-[(5-methyloxolan-2-yl)methyl]ethanamine
CID 107489199
2-chloro-N-methyl-N-(oxan-2-ylmethyl)ethanamine
CID 61436089
3-chloro-N-methyl-N-(oxan-2-ylmethyl)propan-1-amine
CID 61436090
5-chloro-N-methyl-N-(oxan-2-ylmethyl)pentan-1-amine
CID 61436139
4-chloro-N-methyl-N-(oxan-2-ylmethyl)butan-1-amine
CID 61749242
6-chloro-N-methyl-N-(oxan-2-ylmethyl)hexan-1-amine
CID 62227447
2-chloro-N-ethyl-N-(oxan-2-ylmethyl)ethanamine
CID 63386573

Frequently Asked Questions

What is the IUPAC name of N-(2-chloroethyl)-2,2-difluoro-N-(oxan-2-ylmethyl)ethanamine?
The IUPAC name of N-(2-chloroethyl)-2,2-difluoro-N-(oxan-2-ylmethyl)ethanamine (CID 107487796) is N-(2-chloroethyl)-2,2-difluoro-N-(oxan-2-ylmethyl)ethanamine.
What is the SMILES notation for N-(2-chloroethyl)-2,2-difluoro-N-(oxan-2-ylmethyl)ethanamine?
The canonical SMILES for N-(2-chloroethyl)-2,2-difluoro-N-(oxan-2-ylmethyl)ethanamine is FC(F)CN(CCCl)CC1CCCCO1.
What is the InChIKey of N-(2-chloroethyl)-2,2-difluoro-N-(oxan-2-ylmethyl)ethanamine?
The InChIKey is YNXVNOCTMJFXFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18ClF2NO/c11-4-5-14(8-10(12)13)7-9-3-1-2-6-15-9/h9-10H,1-8H2.
What are the key properties of N-(2-chloroethyl)-2,2-difluoro-N-(oxan-2-ylmethyl)ethanamine?
N-(2-chloroethyl)-2,2-difluoro-N-(oxan-2-ylmethyl)ethanamine has a molecular weight of 241.71 g/mol, XLogP of 2.36, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloroethyl)-2,2-difluoro-N-(oxan-2-ylmethyl)ethanamine is sourced from PubChem (CID 107487796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).