[2-amino-2-(3-chloro-2-fluorophenyl)ethyl] carbamate;hydrochloride

C9H11Cl2FN2O2 — CID 68646408

IUPAC[2-amino-2-(3-chloro-2-fluorophenyl)ethyl] carbamate;hydrochloride
SMILESCl.NC(=O)OCC(N)c1cccc(Cl)c1F
InChIInChI=1S/C9H10ClFN2O2.ClH/c10-6-3-1-2-5(8(6)11)7(12)4-15-9(13)14;/h1-3,7H,4,12H2,(H2,13,14);1H
InChIKeyLKTDMSZSINSXCR-UHFFFAOYSA-N
MW269.10 g/mol
LogP2.00
Rot. Bonds3

About [2-amino-2-(3-chloro-2-fluorophenyl)ethyl] carbamate;hydrochloride

[2-amino-2-(3-chloro-2-fluorophenyl)ethyl] carbamate;hydrochloride (PubChem CID 68646408) has the molecular formula C9H11Cl2FN2O2 and a molecular weight of 269.10 g/mol. Its IUPAC name is [2-amino-2-(3-chloro-2-fluorophenyl)ethyl] carbamate;hydrochloride.

Molecular Properties

Compound Name[2-amino-2-(3-chloro-2-fluorophenyl)ethyl] carbamate;hydrochloride
PubChem CID68646408
Molecular FormulaC9H11Cl2FN2O2
Molecular Weight269.10 g/mol
Exact Mass268.02
IUPAC Name[2-amino-2-(3-chloro-2-fluorophenyl)ethyl] carbamate;hydrochloride
SMILESCl.NC(=O)OCC(N)c1cccc(Cl)c1F
InChIInChI=1S/C9H10ClFN2O2.ClH/c10-6-3-1-2-5(8(6)11)7(12)4-15-9(13)14;/h1-3,7H,4,12H2,(H2,13,14);1H
InChIKeyLKTDMSZSINSXCR-UHFFFAOYSA-N
XLogP2.00
TPSA78.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.10
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[2-amino-2-(2-chlorophenyl)ethyl] carbamate;hydrochloride
CID 68646285
(1S)-1-(3-chloro-2-fluorophenyl)-3-fluoropropan-1-amine
CID 131258362
(1R)-1-(3-chloro-2-fluorophenyl)-3,3-difluoropropan-1-amine;hydrochloride
CID 171313800
2-amino-2-(3-chloro-2-fluorophenyl)acetic acid;hydrochloride
CID 175479963
1-(3-chloro-2-fluorophenyl)-2-(2,6-dichlorophenyl)ethanamine
CID 64713656
(1S)-1-(3-chloro-2-fluorophenyl)but-3-en-1-amine;hydrochloride
CID 171228893
(1S)-1-(3-chloro-2-fluorophenyl)-4-methylpentan-1-amine;hydrochloride
CID 171228917
diethyl 2-(3-chloro-2-fluorophenyl)propanedioate
CID 86045257
(1S)-1-(3-chloro-2-fluorophenyl)-4,4,4-trifluorobutan-1-amine
CID 171228901
(1R)-1-(3-chloro-2-fluorophenyl)butane-1,4-diamine
CID 171209299
(1R)-1-(3-chloro-2-fluorophenyl)pent-4-en-1-amine;hydrochloride
CID 171209326
1-(3-chloro-2-fluorophenyl)ethanamine;hydrochloride
CID 53395655

Frequently Asked Questions

What is the IUPAC name of [2-amino-2-(3-chloro-2-fluorophenyl)ethyl] carbamate;hydrochloride?
The IUPAC name of [2-amino-2-(3-chloro-2-fluorophenyl)ethyl] carbamate;hydrochloride (CID 68646408) is [2-amino-2-(3-chloro-2-fluorophenyl)ethyl] carbamate;hydrochloride.
What is the SMILES notation for [2-amino-2-(3-chloro-2-fluorophenyl)ethyl] carbamate;hydrochloride?
The canonical SMILES for [2-amino-2-(3-chloro-2-fluorophenyl)ethyl] carbamate;hydrochloride is Cl.NC(=O)OCC(N)c1cccc(Cl)c1F.
What is the InChIKey of [2-amino-2-(3-chloro-2-fluorophenyl)ethyl] carbamate;hydrochloride?
The InChIKey is LKTDMSZSINSXCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClFN2O2.ClH/c10-6-3-1-2-5(8(6)11)7(12)4-15-9(13)14;/h1-3,7H,4,12H2,(H2,13,14);1H.
What are the key properties of [2-amino-2-(3-chloro-2-fluorophenyl)ethyl] carbamate;hydrochloride?
[2-amino-2-(3-chloro-2-fluorophenyl)ethyl] carbamate;hydrochloride has a molecular weight of 269.10 g/mol, XLogP of 2.00, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-amino-2-(3-chloro-2-fluorophenyl)ethyl] carbamate;hydrochloride is sourced from PubChem (CID 68646408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).