(3R)-2-cyclopropyl-4-[(4R)-4-fluorocyclohexen-1-yl]-3-methyl-1,2,3,7,8,8a-hexahydroquinoline

C19H26FN — CID 122494798

IUPAC(3R)-2-cyclopropyl-4-[(4R)-4-fluorocyclohexen-1-yl]-3-methyl-1,2,3,7,8,8a-hexahydroquinoline
SMILESC[C@@H]1C(C2=CC[C@H](F)CC2)=C2C=CCCC2NC1C1CC1
InChIInChI=1S/C19H26FN/c1-12-18(13-8-10-15(20)11-9-13)16-4-2-3-5-17(16)21-19(12)14-6-7-14/h2,4,8,12,14-15,17,19,21H,3,5-7,9-11H2,1H3/t12-,15+,17?,19?/m1/s1
InChIKeyNCYDAJBSHDNAAN-UNGXXHGWSA-N
MW287.42 g/mol
LogP4.47
Rot. Bonds2

About (3R)-2-cyclopropyl-4-[(4R)-4-fluorocyclohexen-1-yl]-3-methyl-1,2,3,7,8,8a-hexahydroquinoline

(3R)-2-cyclopropyl-4-[(4R)-4-fluorocyclohexen-1-yl]-3-methyl-1,2,3,7,8,8a-hexahydroquinoline (PubChem CID 122494798) has the molecular formula C19H26FN and a molecular weight of 287.42 g/mol. Its IUPAC name is (3R)-2-cyclopropyl-4-[(4R)-4-fluorocyclohexen-1-yl]-3-methyl-1,2,3,7,8,8a-hexahydroquinoline.

Molecular Properties

Compound Name(3R)-2-cyclopropyl-4-[(4R)-4-fluorocyclohexen-1-yl]-3-methyl-1,2,3,7,8,8a-hexahydroquinoline
PubChem CID122494798
Molecular FormulaC19H26FN
Molecular Weight287.42 g/mol
Exact Mass287.20
IUPAC Name(3R)-2-cyclopropyl-4-[(4R)-4-fluorocyclohexen-1-yl]-3-methyl-1,2,3,7,8,8a-hexahydroquinoline
SMILESC[C@@H]1C(C2=CC[C@H](F)CC2)=C2C=CCCC2NC1C1CC1
InChIInChI=1S/C19H26FN/c1-12-18(13-8-10-15(20)11-9-13)16-4-2-3-5-17(16)21-19(12)14-6-7-14/h2,4,8,12,14-15,17,19,21H,3,5-7,9-11H2,1H3/t12-,15+,17?,19?/m1/s1
InChIKeyNCYDAJBSHDNAAN-UNGXXHGWSA-N
XLogP4.47
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.42
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (3R)-2-cyclopropyl-4-[(4R)-4-fluorocyclohexen-1-yl]-3-methyl-1,2,3,7,8,8a-hexahydroquinoline?
The IUPAC name of (3R)-2-cyclopropyl-4-[(4R)-4-fluorocyclohexen-1-yl]-3-methyl-1,2,3,7,8,8a-hexahydroquinoline (CID 122494798) is (3R)-2-cyclopropyl-4-[(4R)-4-fluorocyclohexen-1-yl]-3-methyl-1,2,3,7,8,8a-hexahydroquinoline.
What is the SMILES notation for (3R)-2-cyclopropyl-4-[(4R)-4-fluorocyclohexen-1-yl]-3-methyl-1,2,3,7,8,8a-hexahydroquinoline?
The canonical SMILES for (3R)-2-cyclopropyl-4-[(4R)-4-fluorocyclohexen-1-yl]-3-methyl-1,2,3,7,8,8a-hexahydroquinoline is C[C@@H]1C(C2=CC[C@H](F)CC2)=C2C=CCCC2NC1C1CC1.
What is the InChIKey of (3R)-2-cyclopropyl-4-[(4R)-4-fluorocyclohexen-1-yl]-3-methyl-1,2,3,7,8,8a-hexahydroquinoline?
The InChIKey is NCYDAJBSHDNAAN-UNGXXHGWSA-N. The full InChI is InChI=1S/C19H26FN/c1-12-18(13-8-10-15(20)11-9-13)16-4-2-3-5-17(16)21-19(12)14-6-7-14/h2,4,8,12,14-15,17,19,21H,3,5-7,9-11H2,1H3/t12-,15+,17?,19?/m1/s1.
What are the key properties of (3R)-2-cyclopropyl-4-[(4R)-4-fluorocyclohexen-1-yl]-3-methyl-1,2,3,7,8,8a-hexahydroquinoline?
(3R)-2-cyclopropyl-4-[(4R)-4-fluorocyclohexen-1-yl]-3-methyl-1,2,3,7,8,8a-hexahydroquinoline has a molecular weight of 287.42 g/mol, XLogP of 4.47, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-2-cyclopropyl-4-[(4R)-4-fluorocyclohexen-1-yl]-3-methyl-1,2,3,7,8,8a-hexahydroquinoline is sourced from PubChem (CID 122494798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).