2-chloro-6-ethyl-4-(2,2,4,4-tetrafluoro-3-methylpentan-3-yl)aniline

C14H18ClF4N — CID 135265889

IUPAC2-chloro-6-ethyl-4-(2,2,4,4-tetrafluoro-3-methylpentan-3-yl)aniline
SMILESCCc1cc(C(C)(C(C)(F)F)C(C)(F)F)cc(Cl)c1N
InChIInChI=1S/C14H18ClF4N/c1-5-8-6-9(7-10(15)11(8)20)12(2,13(3,16)17)14(4,18)19/h6-7H,5,20H2,1-4H3
InChIKeyOULYGYYBTDGAKX-UHFFFAOYSA-N
MW311.75 g/mol
LogP5.05
Rot. Bonds4

About 2-chloro-6-ethyl-4-(2,2,4,4-tetrafluoro-3-methylpentan-3-yl)aniline

2-chloro-6-ethyl-4-(2,2,4,4-tetrafluoro-3-methylpentan-3-yl)aniline (PubChem CID 135265889) has the molecular formula C14H18ClF4N and a molecular weight of 311.75 g/mol. Its IUPAC name is 2-chloro-6-ethyl-4-(2,2,4,4-tetrafluoro-3-methylpentan-3-yl)aniline.

Molecular Properties

Compound Name2-chloro-6-ethyl-4-(2,2,4,4-tetrafluoro-3-methylpentan-3-yl)aniline
PubChem CID135265889
Molecular FormulaC14H18ClF4N
Molecular Weight311.75 g/mol
Exact Mass311.11
IUPAC Name2-chloro-6-ethyl-4-(2,2,4,4-tetrafluoro-3-methylpentan-3-yl)aniline
SMILESCCc1cc(C(C)(C(C)(F)F)C(C)(F)F)cc(Cl)c1N
InChIInChI=1S/C14H18ClF4N/c1-5-8-6-9(7-10(15)11(8)20)12(2,13(3,16)17)14(4,18)19/h6-7H,5,20H2,1-4H3
InChIKeyOULYGYYBTDGAKX-UHFFFAOYSA-N
XLogP5.05
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500311.75
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-Chloro-4,6-dimethylaniline
CID 113033
2-Chloro-6-ethyl-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)aniline
CID 117632184
2-Chloro-6-(trifluoromethyl)aniline
CID 2756384
2,6-Dichloro-4-(perfluoropropan-2-yl)aniline
CID 10019496
4-Amino-3-chloro-5-(trifluoromethyl)benzonitrile
CID 17750543
2-Chloro-6-methyl-4-(trifluoromethyl)aniline
CID 20479357
2-Chloro-6-ethynyl-4-methylaniline
CID 130018972
4-Chloro-2-ethyl-6-methylaniline
CID 3018019
2-Chloro-4-pentafluoroethyl-aniline
CID 9794849
2-Chloro-4-(heptafluoropropan-2-yl)aniline
CID 9948099
4-Chloro-2,6-diethylbenzenamine
CID 14348967
N'-[2-chloro-6-methyl-4-(trifluoromethyl)phenyl]-2,2,3,3,3-pentafluoropropanimidamide
CID 15509912

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-ethyl-4-(2,2,4,4-tetrafluoro-3-methylpentan-3-yl)aniline?
The IUPAC name of 2-chloro-6-ethyl-4-(2,2,4,4-tetrafluoro-3-methylpentan-3-yl)aniline (CID 135265889) is 2-chloro-6-ethyl-4-(2,2,4,4-tetrafluoro-3-methylpentan-3-yl)aniline.
What is the SMILES notation for 2-chloro-6-ethyl-4-(2,2,4,4-tetrafluoro-3-methylpentan-3-yl)aniline?
The canonical SMILES for 2-chloro-6-ethyl-4-(2,2,4,4-tetrafluoro-3-methylpentan-3-yl)aniline is CCc1cc(C(C)(C(C)(F)F)C(C)(F)F)cc(Cl)c1N.
What is the InChIKey of 2-chloro-6-ethyl-4-(2,2,4,4-tetrafluoro-3-methylpentan-3-yl)aniline?
The InChIKey is OULYGYYBTDGAKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClF4N/c1-5-8-6-9(7-10(15)11(8)20)12(2,13(3,16)17)14(4,18)19/h6-7H,5,20H2,1-4H3.
What are the key properties of 2-chloro-6-ethyl-4-(2,2,4,4-tetrafluoro-3-methylpentan-3-yl)aniline?
2-chloro-6-ethyl-4-(2,2,4,4-tetrafluoro-3-methylpentan-3-yl)aniline has a molecular weight of 311.75 g/mol, XLogP of 5.05, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-ethyl-4-(2,2,4,4-tetrafluoro-3-methylpentan-3-yl)aniline is sourced from PubChem (CID 135265889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).