3-(4-chloronaphthalen-1-yl)oxy-4,4,4-trifluorobutan-1-amine

C14H13ClF3NO — CID 43804627

IUPAC3-(4-chloronaphthalen-1-yl)oxy-4,4,4-trifluorobutan-1-amine
SMILESNCCC(Oc1ccc(Cl)c2ccccc12)C(F)(F)F
InChIInChI=1S/C14H13ClF3NO/c15-11-5-6-12(10-4-2-1-3-9(10)11)20-13(7-8-19)14(16,17)18/h1-6,13H,7-8,19H2
InChIKeyHUBLMBQRLMPAQF-UHFFFAOYSA-N
MW303.71 g/mol
LogP4.15
Rot. Bonds4

About 3-(4-chloronaphthalen-1-yl)oxy-4,4,4-trifluorobutan-1-amine

3-(4-chloronaphthalen-1-yl)oxy-4,4,4-trifluorobutan-1-amine (PubChem CID 43804627) has the molecular formula C14H13ClF3NO and a molecular weight of 303.71 g/mol. Its IUPAC name is 3-(4-chloronaphthalen-1-yl)oxy-4,4,4-trifluorobutan-1-amine.

Molecular Properties

Compound Name3-(4-chloronaphthalen-1-yl)oxy-4,4,4-trifluorobutan-1-amine
PubChem CID43804627
Molecular FormulaC14H13ClF3NO
Molecular Weight303.71 g/mol
Exact Mass303.06
IUPAC Name3-(4-chloronaphthalen-1-yl)oxy-4,4,4-trifluorobutan-1-amine
SMILESNCCC(Oc1ccc(Cl)c2ccccc12)C(F)(F)F
InChIInChI=1S/C14H13ClF3NO/c15-11-5-6-12(10-4-2-1-3-9(10)11)20-13(7-8-19)14(16,17)18/h1-6,13H,7-8,19H2
InChIKeyHUBLMBQRLMPAQF-UHFFFAOYSA-N
XLogP4.15
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.71
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-Chloro-4-(difluoromethoxy)naphthalene
CID 2119407
N-benzyl-3-(4-chloronaphthalen-1-yl)oxypropan-1-amine
CID 2184430
3-{[(4-Chloro-1-naphthyl)oxy]methyl}piperidine
CID 17178023
1-Chloro-4-isopropoxynaphthalene
CID 58905353
2-(4-chloronaphthalen-1-yl)oxy-N-(2,2,2-trifluoroethyl)acetamide
CID 2612750
4-Chloro-1-naphthyl 3-piperidinylmethyl ether hydrochloride
CID 17178022
3-(3-Chlorophenyl)-3-(3-fluorophenoxy)propan-1-amine
CID 9903809
[(3S)-7-chloro-5-[2-(trifluoromethyl)phenyl]-2,3-dihydro-1,4-benzodioxin-3-yl]methanamine
CID 12002091
[(3S)-6-chloro-5-[2-(trifluoromethyl)phenyl]-2,3-dihydro-1,4-benzodioxin-3-yl]methanamine
CID 12002116
7-(4-Chloronaphthalen-1-yl)oxy-1,1,1-trifluorohept-3-yn-2-one
CID 15045666
1-Chloro-4-(2-fluoroethoxy)naphthalene
CID 15058746
2-[5-Chloro-2-[(4-fluorophenyl)methoxy]phenyl]ethanamine
CID 22681524

Frequently Asked Questions

What is the IUPAC name of 3-(4-chloronaphthalen-1-yl)oxy-4,4,4-trifluorobutan-1-amine?
The IUPAC name of 3-(4-chloronaphthalen-1-yl)oxy-4,4,4-trifluorobutan-1-amine (CID 43804627) is 3-(4-chloronaphthalen-1-yl)oxy-4,4,4-trifluorobutan-1-amine.
What is the SMILES notation for 3-(4-chloronaphthalen-1-yl)oxy-4,4,4-trifluorobutan-1-amine?
The canonical SMILES for 3-(4-chloronaphthalen-1-yl)oxy-4,4,4-trifluorobutan-1-amine is NCCC(Oc1ccc(Cl)c2ccccc12)C(F)(F)F.
What is the InChIKey of 3-(4-chloronaphthalen-1-yl)oxy-4,4,4-trifluorobutan-1-amine?
The InChIKey is HUBLMBQRLMPAQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClF3NO/c15-11-5-6-12(10-4-2-1-3-9(10)11)20-13(7-8-19)14(16,17)18/h1-6,13H,7-8,19H2.
What are the key properties of 3-(4-chloronaphthalen-1-yl)oxy-4,4,4-trifluorobutan-1-amine?
3-(4-chloronaphthalen-1-yl)oxy-4,4,4-trifluorobutan-1-amine has a molecular weight of 303.71 g/mol, XLogP of 4.15, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chloronaphthalen-1-yl)oxy-4,4,4-trifluorobutan-1-amine is sourced from PubChem (CID 43804627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).