(1S)-8-fluoro-1,2,3,4-tetrahydronaphthalene-1,5-diamine

C10H13FN2 — CID 131072460

IUPAC(1S)-8-fluoro-1,2,3,4-tetrahydronaphthalene-1,5-diamine
SMILESNc1ccc(F)c2c1CCC[C@@H]2N
InChIInChI=1S/C10H13FN2/c11-7-4-5-8(12)6-2-1-3-9(13)10(6)7/h4-5,9H,1-3,12-13H2/t9-/m0/s1
InChIKeyMYKYUGVJPBBVHX-VIFPVBQESA-N
MW180.23 g/mol
LogP1.74
Rot. Bonds

About (1S)-8-fluoro-1,2,3,4-tetrahydronaphthalene-1,5-diamine

(1S)-8-fluoro-1,2,3,4-tetrahydronaphthalene-1,5-diamine (PubChem CID 131072460) has the molecular formula C10H13FN2 and a molecular weight of 180.23 g/mol. Its IUPAC name is (1S)-8-fluoro-1,2,3,4-tetrahydronaphthalene-1,5-diamine.

Molecular Properties

Compound Name(1S)-8-fluoro-1,2,3,4-tetrahydronaphthalene-1,5-diamine
PubChem CID131072460
Molecular FormulaC10H13FN2
Molecular Weight180.23 g/mol
Exact Mass180.11
IUPAC Name(1S)-8-fluoro-1,2,3,4-tetrahydronaphthalene-1,5-diamine
SMILESNc1ccc(F)c2c1CCC[C@@H]2N
InChIInChI=1S/C10H13FN2/c11-7-4-5-8(12)6-2-1-3-9(13)10(6)7/h4-5,9H,1-3,12-13H2/t9-/m0/s1
InChIKeyMYKYUGVJPBBVHX-VIFPVBQESA-N
XLogP1.74
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.23
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(8R)-4,8-diamino-5,6,7,8-tetrahydronaphthalene-1-carbonitrile
CID 130631682
(1R)-5-ethyl-8-fluoro-1,2,3,4-tetrahydronaphthalen-1-amine
CID 130691697
(1R)-5-iodo-1,2,3,4-tetrahydronaphthalene-1,8-diamine
CID 130706367
(1S)-4-chloro-7-fluoro-2,3-dihydro-1H-inden-1-amine
CID 130612015
(1R)-6-fluoro-5-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 130740875
(1S)-5-chloro-6-fluoro-1,2,3,4-tetrahydronaphthalen-1-amine
CID 131122901
(5R)-6-fluoro-9-methyl-2,3,4,5-tetrahydro-1-benzoxepin-5-amine
CID 102990333
(1R)-6-fluoro-5-(trifluoromethyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 131613298
1-[(4-chlorophenyl)methyl]-5,8-difluoro-1,2,3,4-tetrahydronaphthalene
CID 70907249
[(5R)-5-amino-2-fluoro-5,6,7,8-tetrahydronaphthalen-1-yl]methanol
CID 130701464
5,8-difluoro-3,4-dihydro-2H-chromen-4-amine
CID 59704967
6,8-difluoro-1,2,3,4-tetrahydronaphthalen-1-amine
CID 55253125

Frequently Asked Questions

What is the IUPAC name of (1S)-8-fluoro-1,2,3,4-tetrahydronaphthalene-1,5-diamine?
The IUPAC name of (1S)-8-fluoro-1,2,3,4-tetrahydronaphthalene-1,5-diamine (CID 131072460) is (1S)-8-fluoro-1,2,3,4-tetrahydronaphthalene-1,5-diamine.
What is the SMILES notation for (1S)-8-fluoro-1,2,3,4-tetrahydronaphthalene-1,5-diamine?
The canonical SMILES for (1S)-8-fluoro-1,2,3,4-tetrahydronaphthalene-1,5-diamine is Nc1ccc(F)c2c1CCC[C@@H]2N.
What is the InChIKey of (1S)-8-fluoro-1,2,3,4-tetrahydronaphthalene-1,5-diamine?
The InChIKey is MYKYUGVJPBBVHX-VIFPVBQESA-N. The full InChI is InChI=1S/C10H13FN2/c11-7-4-5-8(12)6-2-1-3-9(13)10(6)7/h4-5,9H,1-3,12-13H2/t9-/m0/s1.
What are the key properties of (1S)-8-fluoro-1,2,3,4-tetrahydronaphthalene-1,5-diamine?
(1S)-8-fluoro-1,2,3,4-tetrahydronaphthalene-1,5-diamine has a molecular weight of 180.23 g/mol, XLogP of 1.74, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-8-fluoro-1,2,3,4-tetrahydronaphthalene-1,5-diamine is sourced from PubChem (CID 131072460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).