4-butoxy-3-chloro-5-(trifluoromethyl)aniline

C11H13ClF3NO — CID 154260016

IUPAC4-butoxy-3-chloro-5-(trifluoromethyl)aniline
SMILESCCCCOc1c(Cl)cc(N)cc1C(F)(F)F
InChIInChI=1S/C11H13ClF3NO/c1-2-3-4-17-10-8(11(13,14)15)5-7(16)6-9(10)12/h5-6H,2-4,16H2,1H3
InChIKeyPGRQNKHHVOGKFJ-UHFFFAOYSA-N
MW267.68 g/mol
LogP4.12
Rot. Bonds4

About 4-butoxy-3-chloro-5-(trifluoromethyl)aniline

4-butoxy-3-chloro-5-(trifluoromethyl)aniline (PubChem CID 154260016) has the molecular formula C11H13ClF3NO and a molecular weight of 267.68 g/mol. Its IUPAC name is 4-butoxy-3-chloro-5-(trifluoromethyl)aniline.

Molecular Properties

Compound Name4-butoxy-3-chloro-5-(trifluoromethyl)aniline
PubChem CID154260016
Molecular FormulaC11H13ClF3NO
Molecular Weight267.68 g/mol
Exact Mass267.06
IUPAC Name4-butoxy-3-chloro-5-(trifluoromethyl)aniline
SMILESCCCCOc1c(Cl)cc(N)cc1C(F)(F)F
InChIInChI=1S/C11H13ClF3NO/c1-2-3-4-17-10-8(11(13,14)15)5-7(16)6-9(10)12/h5-6H,2-4,16H2,1H3
InChIKeyPGRQNKHHVOGKFJ-UHFFFAOYSA-N
XLogP4.12
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.68
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-4-methoxy-5-(trifluoromethyl)aniline
CID 131188893
1-chloro-5-methyl-2-propoxy-3-(trifluoromethyl)benzene
CID 146247201
4-[3-(4-amino-2,6-dichlorophenoxy)-2,5-dibutoxyphenoxy]-3,5-dichloroaniline
CID 139626994
4-methoxy-3,5-bis(trifluoromethyl)aniline
CID 134640581
2-butoxy-1,3,4,5-tetrachlorobenzene
CID 91736828
4-butoxy-3,5-dichlorophenol
CID 91234331
methyl 5-amino-3-chloro-2-pentoxybenzoate
CID 107197652
3-chloro-4-methylsulfanyl-5-(trifluoromethyl)aniline
CID 118818035
[4-amino-2-chloro-6-(trifluoromethyl)phenyl]methanol
CID 118812382
3,5-dichloro-2-hexoxyaniline
CID 54853380
3-chloro-4,5-diethoxyaniline
CID 13335752
1,3,5-trichloro-2-octadecoxybenzene
CID 20520413

Frequently Asked Questions

What is the IUPAC name of 4-butoxy-3-chloro-5-(trifluoromethyl)aniline?
The IUPAC name of 4-butoxy-3-chloro-5-(trifluoromethyl)aniline (CID 154260016) is 4-butoxy-3-chloro-5-(trifluoromethyl)aniline.
What is the SMILES notation for 4-butoxy-3-chloro-5-(trifluoromethyl)aniline?
The canonical SMILES for 4-butoxy-3-chloro-5-(trifluoromethyl)aniline is CCCCOc1c(Cl)cc(N)cc1C(F)(F)F.
What is the InChIKey of 4-butoxy-3-chloro-5-(trifluoromethyl)aniline?
The InChIKey is PGRQNKHHVOGKFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClF3NO/c1-2-3-4-17-10-8(11(13,14)15)5-7(16)6-9(10)12/h5-6H,2-4,16H2,1H3.
What are the key properties of 4-butoxy-3-chloro-5-(trifluoromethyl)aniline?
4-butoxy-3-chloro-5-(trifluoromethyl)aniline has a molecular weight of 267.68 g/mol, XLogP of 4.12, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butoxy-3-chloro-5-(trifluoromethyl)aniline is sourced from PubChem (CID 154260016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).