5-[4-(trifluoromethyl)cyclohexyl]oxy-2,3-dihydro-1H-indole

C15H18F3NO — CID 66926636

IUPAC5-[4-(trifluoromethyl)cyclohexyl]oxy-2,3-dihydro-1H-indole
SMILESFC(F)(F)C1CCC(Oc2ccc3c(c2)CCN3)CC1
InChIInChI=1S/C15H18F3NO/c16-15(17,18)11-1-3-12(4-2-11)20-13-5-6-14-10(9-13)7-8-19-14/h5-6,9,11-12,19H,1-4,7-8H2
InChIKeyCLDVDSBXJJPIQK-UHFFFAOYSA-N
MW285.31 g/mol
LogP4.15
Rot. Bonds2

About 5-[4-(trifluoromethyl)cyclohexyl]oxy-2,3-dihydro-1H-indole

5-[4-(trifluoromethyl)cyclohexyl]oxy-2,3-dihydro-1H-indole (PubChem CID 66926636) has the molecular formula C15H18F3NO and a molecular weight of 285.31 g/mol. Its IUPAC name is 5-[4-(trifluoromethyl)cyclohexyl]oxy-2,3-dihydro-1H-indole.

Molecular Properties

Compound Name5-[4-(trifluoromethyl)cyclohexyl]oxy-2,3-dihydro-1H-indole
PubChem CID66926636
Molecular FormulaC15H18F3NO
Molecular Weight285.31 g/mol
Exact Mass285.13
IUPAC Name5-[4-(trifluoromethyl)cyclohexyl]oxy-2,3-dihydro-1H-indole
SMILESFC(F)(F)C1CCC(Oc2ccc3c(c2)CCN3)CC1
InChIInChI=1S/C15H18F3NO/c16-15(17,18)11-1-3-12(4-2-11)20-13-5-6-14-10(9-13)7-8-19-14/h5-6,9,11-12,19H,1-4,7-8H2
InChIKeyCLDVDSBXJJPIQK-UHFFFAOYSA-N
XLogP4.15
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.31
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

5-(thietan-3-yloxy)-2,3-dihydro-1H-indole
CID 115074586
6-cyclohexyloxy-1,2,3,4-tetrahydroquinoline
CID 115075220
5-(3-cyclopropyloxyphenyl)-2,3-dihydro-1H-indole
CID 114522456
6-pyrrolidin-3-yloxy-1,2,3,4-tetrahydroquinoline
CID 84683949
1-[6-[4-(trifluoromethyl)cyclohexyl]oxynaphthalen-2-yl]ethanone
CID 90026270
5-(pyrrolidin-2-ylmethoxy)-2,3-dihydro-1H-indole
CID 115074528
5-[1-(phenylmethoxymethyl)azetidin-3-yl]oxy-2,3-dihydro-1H-indole
CID 90054251
1-[6-[4-(trifluoromethyl)cyclohexyl]oxynaphthalen-2-yl]ethanethiol
CID 150872718
6-(thietan-3-yloxy)-2,3-dihydro-1H-indole
CID 115074762
7-(trifluoromethoxy)-2,3,4,5-tetrahydro-1H-1-benzazepine;hydrochloride
CID 71432329
5-[(4-methylcyclohexyl)methoxy]-2,3-dihydro-1H-indole
CID 115074576
5-(thian-4-ylmethoxy)-2,3-dihydro-1H-indole
CID 115074613

Frequently Asked Questions

What is the IUPAC name of 5-[4-(trifluoromethyl)cyclohexyl]oxy-2,3-dihydro-1H-indole?
The IUPAC name of 5-[4-(trifluoromethyl)cyclohexyl]oxy-2,3-dihydro-1H-indole (CID 66926636) is 5-[4-(trifluoromethyl)cyclohexyl]oxy-2,3-dihydro-1H-indole.
What is the SMILES notation for 5-[4-(trifluoromethyl)cyclohexyl]oxy-2,3-dihydro-1H-indole?
The canonical SMILES for 5-[4-(trifluoromethyl)cyclohexyl]oxy-2,3-dihydro-1H-indole is FC(F)(F)C1CCC(Oc2ccc3c(c2)CCN3)CC1.
What is the InChIKey of 5-[4-(trifluoromethyl)cyclohexyl]oxy-2,3-dihydro-1H-indole?
The InChIKey is CLDVDSBXJJPIQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F3NO/c16-15(17,18)11-1-3-12(4-2-11)20-13-5-6-14-10(9-13)7-8-19-14/h5-6,9,11-12,19H,1-4,7-8H2.
What are the key properties of 5-[4-(trifluoromethyl)cyclohexyl]oxy-2,3-dihydro-1H-indole?
5-[4-(trifluoromethyl)cyclohexyl]oxy-2,3-dihydro-1H-indole has a molecular weight of 285.31 g/mol, XLogP of 4.15, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(trifluoromethyl)cyclohexyl]oxy-2,3-dihydro-1H-indole is sourced from PubChem (CID 66926636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).