(1S,2S)-2-chloro-1-fluoro-1,2,3,4-tetrahydronaphthalene

C10H10ClF — CID 130981221

IUPAC(1S,2S)-2-chloro-1-fluoro-1,2,3,4-tetrahydronaphthalene
SMILESF[C@H]1c2ccccc2CC[C@@H]1Cl
InChIInChI=1S/C10H10ClF/c11-9-6-5-7-3-1-2-4-8(7)10(9)12/h1-4,9-10H,5-6H2/t9-,10-/m0/s1
InChIKeyPBHMVGYDJLNFEN-UWVGGRQHSA-N
MW184.64 g/mol
LogP3.25
Rot. Bonds

About (1S,2S)-2-chloro-1-fluoro-1,2,3,4-tetrahydronaphthalene

(1S,2S)-2-chloro-1-fluoro-1,2,3,4-tetrahydronaphthalene (PubChem CID 130981221) has the molecular formula C10H10ClF and a molecular weight of 184.64 g/mol. Its IUPAC name is (1S,2S)-2-chloro-1-fluoro-1,2,3,4-tetrahydronaphthalene.

Molecular Properties

Compound Name(1S,2S)-2-chloro-1-fluoro-1,2,3,4-tetrahydronaphthalene
PubChem CID130981221
Molecular FormulaC10H10ClF
Molecular Weight184.64 g/mol
Exact Mass184.05
IUPAC Name(1S,2S)-2-chloro-1-fluoro-1,2,3,4-tetrahydronaphthalene
SMILESF[C@H]1c2ccccc2CC[C@@H]1Cl
InChIInChI=1S/C10H10ClF/c11-9-6-5-7-3-1-2-4-8(7)10(9)12/h1-4,9-10H,5-6H2/t9-,10-/m0/s1
InChIKeyPBHMVGYDJLNFEN-UWVGGRQHSA-N
XLogP3.25
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.64
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(1S)-2,3-dihydro-1H-inden-1-amine
CID 7000084
(3aS,9bS)-2-chloro-1,3,3a,4,5,9b-hexahydrobenzo[e][2]benzalumole
CID 135083025
1-fluoro-2,3-dihydro-1H-inden-2-amine
CID 67549579
(2S)-1-fluoro-2,3-dihydro-1H-inden-2-amine
CID 143629667
[(1S)-2,3-dihydro-1H-inden-1-yl]-trimethylazanium
CID 57317290
2,3-dihydro-1H-inden-1-amine;methanamine
CID 174570832
1,2,2a,3,4,8b-hexahydrocyclobuta[a]naphthalene
CID 156649341
CID 11170996
CID 11170996
tris(2,3-dihydro-1H-inden-1-ol);ethane
CID 19770523
(1R,2S)-1-(1,1-difluoroprop-1-en-2-yl)-1,2,3,4-tetrahydronaphthalen-2-ol
CID 11579465
1-chloro-2-propyl-1,2,3,4-tetrahydronaphthalene
CID 63460579
(1S,2R)-1-(1,1-difluoroprop-1-en-2-yl)-1,2,3,4-tetrahydronaphthalen-2-ol
CID 101380671

Frequently Asked Questions

What is the IUPAC name of (1S,2S)-2-chloro-1-fluoro-1,2,3,4-tetrahydronaphthalene?
The IUPAC name of (1S,2S)-2-chloro-1-fluoro-1,2,3,4-tetrahydronaphthalene (CID 130981221) is (1S,2S)-2-chloro-1-fluoro-1,2,3,4-tetrahydronaphthalene.
What is the SMILES notation for (1S,2S)-2-chloro-1-fluoro-1,2,3,4-tetrahydronaphthalene?
The canonical SMILES for (1S,2S)-2-chloro-1-fluoro-1,2,3,4-tetrahydronaphthalene is F[C@H]1c2ccccc2CC[C@@H]1Cl.
What is the InChIKey of (1S,2S)-2-chloro-1-fluoro-1,2,3,4-tetrahydronaphthalene?
The InChIKey is PBHMVGYDJLNFEN-UWVGGRQHSA-N. The full InChI is InChI=1S/C10H10ClF/c11-9-6-5-7-3-1-2-4-8(7)10(9)12/h1-4,9-10H,5-6H2/t9-,10-/m0/s1.
What are the key properties of (1S,2S)-2-chloro-1-fluoro-1,2,3,4-tetrahydronaphthalene?
(1S,2S)-2-chloro-1-fluoro-1,2,3,4-tetrahydronaphthalene has a molecular weight of 184.64 g/mol, XLogP of 3.25, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S)-2-chloro-1-fluoro-1,2,3,4-tetrahydronaphthalene is sourced from PubChem (CID 130981221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).