(Z)-2-[(3,5-dichlorophenyl)methyl]-3-fluoroprop-2-en-1-amine;hydrochloride

C10H11Cl3FN — CID 66982716

IUPAC(Z)-2-[(3,5-dichlorophenyl)methyl]-3-fluoroprop-2-en-1-amine;hydrochloride
SMILESCl.NC/C(=C\F)Cc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C10H10Cl2FN.ClH/c11-9-2-7(3-10(12)4-9)1-8(5-13)6-14;/h2-5H,1,6,14H2;1H/b8-5-;
InChIKeySMSXZVYLDWMUCZ-HGKIGUAWSA-N
MW270.56 g/mol
LogP3.77
Rot. Bonds3

About (Z)-2-[(3,5-dichlorophenyl)methyl]-3-fluoroprop-2-en-1-amine;hydrochloride

(Z)-2-[(3,5-dichlorophenyl)methyl]-3-fluoroprop-2-en-1-amine;hydrochloride (PubChem CID 66982716) has the molecular formula C10H11Cl3FN and a molecular weight of 270.56 g/mol. Its IUPAC name is (Z)-2-[(3,5-dichlorophenyl)methyl]-3-fluoroprop-2-en-1-amine;hydrochloride.

Molecular Properties

Compound Name(Z)-2-[(3,5-dichlorophenyl)methyl]-3-fluoroprop-2-en-1-amine;hydrochloride
PubChem CID66982716
Molecular FormulaC10H11Cl3FN
Molecular Weight270.56 g/mol
Exact Mass268.99
IUPAC Name(Z)-2-[(3,5-dichlorophenyl)methyl]-3-fluoroprop-2-en-1-amine;hydrochloride
SMILESCl.NC/C(=C\F)Cc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C10H10Cl2FN.ClH/c11-9-2-7(3-10(12)4-9)1-8(5-13)6-14;/h2-5H,1,6,14H2;1H/b8-5-;
InChIKeySMSXZVYLDWMUCZ-HGKIGUAWSA-N
XLogP3.77
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.56
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(E)-2-[(3,4-difluorophenyl)methyl]-3-fluoroprop-2-en-1-amine
CID 66982653
3-fluoro-2-[(4-fluoro-3-methylphenyl)methyl]prop-2-en-1-amine;hydrochloride
CID 66982930
azane;(E)-2-benzyl-3-fluoroprop-2-en-1-amine
CID 70522595
(Z)-3-fluoro-2-[(4-fluoro-3-methylphenyl)methyl]prop-2-en-1-amine
CID 25013777
(Z)-2-[(3,5-difluoro-4-methoxyphenyl)methyl]-3-fluoroprop-2-en-1-amine
CID 59029517
(2E)-4-(4-chlorophenyl)-2-(fluoromethylidene)butan-1-amine
CID 25014173
(Z)-2-[(5-chlorothiophen-2-yl)methyl]-3-fluoroprop-2-en-1-amine
CID 59029516
(Z)-3-fluoro-2-[(4-propan-2-yloxyphenyl)methyl]prop-2-en-1-amine;hydrochloride
CID 66983444
2-(3,5-dichlorophenyl)ethanamine
CID 15670830
3-(3,5-dichlorophenyl)-2-oxopropanoic acid
CID 60790009
1-(3,5-dichlorophenyl)-3-hydroxypropan-2-one
CID 69337464
1,3-dichloro-5-[[(3,5-dichlorophenyl)methyldisulfanyl]methyl]benzene
CID 71341722

Frequently Asked Questions

What is the IUPAC name of (Z)-2-[(3,5-dichlorophenyl)methyl]-3-fluoroprop-2-en-1-amine;hydrochloride?
The IUPAC name of (Z)-2-[(3,5-dichlorophenyl)methyl]-3-fluoroprop-2-en-1-amine;hydrochloride (CID 66982716) is (Z)-2-[(3,5-dichlorophenyl)methyl]-3-fluoroprop-2-en-1-amine;hydrochloride.
What is the SMILES notation for (Z)-2-[(3,5-dichlorophenyl)methyl]-3-fluoroprop-2-en-1-amine;hydrochloride?
The canonical SMILES for (Z)-2-[(3,5-dichlorophenyl)methyl]-3-fluoroprop-2-en-1-amine;hydrochloride is Cl.NC/C(=C\F)Cc1cc(Cl)cc(Cl)c1.
What is the InChIKey of (Z)-2-[(3,5-dichlorophenyl)methyl]-3-fluoroprop-2-en-1-amine;hydrochloride?
The InChIKey is SMSXZVYLDWMUCZ-HGKIGUAWSA-N. The full InChI is InChI=1S/C10H10Cl2FN.ClH/c11-9-2-7(3-10(12)4-9)1-8(5-13)6-14;/h2-5H,1,6,14H2;1H/b8-5-;.
What are the key properties of (Z)-2-[(3,5-dichlorophenyl)methyl]-3-fluoroprop-2-en-1-amine;hydrochloride?
(Z)-2-[(3,5-dichlorophenyl)methyl]-3-fluoroprop-2-en-1-amine;hydrochloride has a molecular weight of 270.56 g/mol, XLogP of 3.77, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-[(3,5-dichlorophenyl)methyl]-3-fluoroprop-2-en-1-amine;hydrochloride is sourced from PubChem (CID 66982716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).