(2-chloro-3-fluoro-5,6,7,8-tetrahydronaphthalen-1-yl)methanol

C11H12ClFO — CID 171787747

IUPAC(2-chloro-3-fluoro-5,6,7,8-tetrahydronaphthalen-1-yl)methanol
SMILESOCc1c(Cl)c(F)cc2c1CCCC2
InChIInChI=1S/C11H12ClFO/c12-11-9(6-14)8-4-2-1-3-7(8)5-10(11)13/h5,14H,1-4,6H2
InChIKeyUCNRNMJECMBNTC-UHFFFAOYSA-N
MW214.67 g/mol
LogP2.85
Rot. Bonds1

About (2-chloro-3-fluoro-5,6,7,8-tetrahydronaphthalen-1-yl)methanol

(2-chloro-3-fluoro-5,6,7,8-tetrahydronaphthalen-1-yl)methanol (PubChem CID 171787747) has the molecular formula C11H12ClFO and a molecular weight of 214.67 g/mol. Its IUPAC name is (2-chloro-3-fluoro-5,6,7,8-tetrahydronaphthalen-1-yl)methanol.

Molecular Properties

Compound Name(2-chloro-3-fluoro-5,6,7,8-tetrahydronaphthalen-1-yl)methanol
PubChem CID171787747
Molecular FormulaC11H12ClFO
Molecular Weight214.67 g/mol
Exact Mass214.06
IUPAC Name(2-chloro-3-fluoro-5,6,7,8-tetrahydronaphthalen-1-yl)methanol
SMILESOCc1c(Cl)c(F)cc2c1CCCC2
InChIInChI=1S/C11H12ClFO/c12-11-9(6-14)8-4-2-1-3-7(8)5-10(11)13/h5,14H,1-4,6H2
InChIKeyUCNRNMJECMBNTC-UHFFFAOYSA-N
XLogP2.85
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.67
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2-chloro-3-fluoro-5,6,7,8-tetrahydronaphthalen-1-yl)methanol?
The IUPAC name of (2-chloro-3-fluoro-5,6,7,8-tetrahydronaphthalen-1-yl)methanol (CID 171787747) is (2-chloro-3-fluoro-5,6,7,8-tetrahydronaphthalen-1-yl)methanol.
What is the SMILES notation for (2-chloro-3-fluoro-5,6,7,8-tetrahydronaphthalen-1-yl)methanol?
The canonical SMILES for (2-chloro-3-fluoro-5,6,7,8-tetrahydronaphthalen-1-yl)methanol is OCc1c(Cl)c(F)cc2c1CCCC2.
What is the InChIKey of (2-chloro-3-fluoro-5,6,7,8-tetrahydronaphthalen-1-yl)methanol?
The InChIKey is UCNRNMJECMBNTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClFO/c12-11-9(6-14)8-4-2-1-3-7(8)5-10(11)13/h5,14H,1-4,6H2.
What are the key properties of (2-chloro-3-fluoro-5,6,7,8-tetrahydronaphthalen-1-yl)methanol?
(2-chloro-3-fluoro-5,6,7,8-tetrahydronaphthalen-1-yl)methanol has a molecular weight of 214.67 g/mol, XLogP of 2.85, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-3-fluoro-5,6,7,8-tetrahydronaphthalen-1-yl)methanol is sourced from PubChem (CID 171787747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).