5-(difluoromethyl)-1,2,3,4-tetrahydronaphthalene

C11H12F2 — CID 159912774

IUPAC5-(difluoromethyl)-1,2,3,4-tetrahydronaphthalene
SMILESFC(F)c1cccc2c1CCCC2
InChIInChI=1S/C11H12F2/c12-11(13)10-7-3-5-8-4-1-2-6-9(8)10/h3,5,7,11H,1-2,4,6H2
InChIKeyKZOHXZORYMKUNF-UHFFFAOYSA-N
MW182.21 g/mol
LogP3.50
Rot. Bonds1

About 5-(difluoromethyl)-1,2,3,4-tetrahydronaphthalene

5-(difluoromethyl)-1,2,3,4-tetrahydronaphthalene (PubChem CID 159912774) has the molecular formula C11H12F2 and a molecular weight of 182.21 g/mol. Its IUPAC name is 5-(difluoromethyl)-1,2,3,4-tetrahydronaphthalene.

Molecular Properties

Compound Name5-(difluoromethyl)-1,2,3,4-tetrahydronaphthalene
PubChem CID159912774
Molecular FormulaC11H12F2
Molecular Weight182.21 g/mol
Exact Mass182.09
IUPAC Name5-(difluoromethyl)-1,2,3,4-tetrahydronaphthalene
SMILESFC(F)c1cccc2c1CCCC2
InChIInChI=1S/C11H12F2/c12-11(13)10-7-3-5-8-4-1-2-6-9(8)10/h3,5,7,11H,1-2,4,6H2
InChIKeyKZOHXZORYMKUNF-UHFFFAOYSA-N
XLogP3.50
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.21
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2,3-dihydro-1H-inden-4-yl(fluoro)methanesulfinic acid
CID 174959439
2,3-dihydro-1H-inden-4-yl(fluoro)methanesulfinate
CID 174959438
(1S)-1-(5,6,7,8-tetrahydronaphthalen-1-yl)propan-1-amine
CID 130644887
trifluoro(5,6,7,8-tetrahydronaphthalen-1-yl)boranuide
CID 63677195
N-(2,2-difluoroethyl)-5,6,7,8-tetrahydronaphthalen-1-amine
CID 60922527
(2R)-2-amino-2-(2,3-dihydro-1H-inden-4-yl)acetic acid
CID 130783768
5,6,7,8,9,10,11,12-octahydrobenzo[10]annulen-4-ol
CID 21151081
5-ethyl-2,3-dihydro-1H-indene;4-propan-2-yl-2,3-dihydro-1H-indene
CID 178128583
3,6-bis(5,6,7,8-tetrahydronaphthalen-1-yl)-1,2,4,5-tetrazine
CID 146453462
2-[2,3-dihydro-1H-inden-4-yl(phenoxy)methyl]oxirane
CID 87669598
3-formamido-3-(5,6,7,8-tetrahydronaphthalen-1-yl)propanoic acid
CID 165121353
4-(trifluoromethyl)-2,3-dihydro-1H-indene
CID 126626843

Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethyl)-1,2,3,4-tetrahydronaphthalene?
The IUPAC name of 5-(difluoromethyl)-1,2,3,4-tetrahydronaphthalene (CID 159912774) is 5-(difluoromethyl)-1,2,3,4-tetrahydronaphthalene.
What is the SMILES notation for 5-(difluoromethyl)-1,2,3,4-tetrahydronaphthalene?
The canonical SMILES for 5-(difluoromethyl)-1,2,3,4-tetrahydronaphthalene is FC(F)c1cccc2c1CCCC2.
What is the InChIKey of 5-(difluoromethyl)-1,2,3,4-tetrahydronaphthalene?
The InChIKey is KZOHXZORYMKUNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F2/c12-11(13)10-7-3-5-8-4-1-2-6-9(8)10/h3,5,7,11H,1-2,4,6H2.
What are the key properties of 5-(difluoromethyl)-1,2,3,4-tetrahydronaphthalene?
5-(difluoromethyl)-1,2,3,4-tetrahydronaphthalene has a molecular weight of 182.21 g/mol, XLogP of 3.50, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(difluoromethyl)-1,2,3,4-tetrahydronaphthalene is sourced from PubChem (CID 159912774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).